data_1nwd_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1nwd _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.232 0.539 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.517 0.199 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.938 0.399 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.334 0.587 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.831 0.348 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.846 0.355 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.588 0.708 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.705 0.288 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp . . . . . 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.842 0.353 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.837 -0.125 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 121.366 0.603 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.3 0.571 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 CA--C 1.538 0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.742 0.782 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.169 0.509 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.717 0.294 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.523 0.678 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 121.194 0.521 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp . . . . . 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.978 0.418 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.19 0.519 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.073 0.463 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.933 0.397 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 121.237 0.541 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.201 0.524 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.956 0.408 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 119.719 -0.181 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.342 0.115 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.688 0.28 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm . . . . . 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm . . . . . 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.76 0.791 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.487 0.661 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.681 0.277 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.191 0.52 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -138.25 28.63 2.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.626 1.17 . . . . 0.0 111.647 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -166.14 132.53 2.55 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.337 1.455 . . . . 0.0 109.399 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 pp -98.23 154.78 17.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.789 1.636 . . . . 0.0 110.541 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -143.65 148.89 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.114 1.366 . . . . 0.0 109.086 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.81 -2.63 7.54 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.18 -44.52 67.95 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.153 1.381 . . . . 0.0 111.987 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.45 152.5 0.13 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.6 tpt 73.74 153.7 0.14 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.436 2.295 . . . . 0.0 111.166 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -74.5 56.59 0.68 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.703 1.601 . . . . 0.0 111.856 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -133.65 171.45 14.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.641 1.976 . . . . 0.0 109.196 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.3 p -78.13 -87.44 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.339 1.055 . . . . 0.0 110.895 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -90.19 69.5 7.18 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 125.029 1.331 . . . . 0.0 108.591 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -163.81 150.35 11.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.578 1.151 . . . . 0.0 110.946 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -149.59 -66.8 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.696 1.598 . . . . 0.0 109.147 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 150.27 31.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 110.569 171.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.792 1.237 . . . . 0.0 111.263 -175.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -84.97 -176.45 6.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.796 1.638 . . . . 0.0 111.625 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.28 69.65 1.29 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -154.09 104.9 2.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.15 1.78 . . . . 0.0 107.371 169.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt . . . . . 0 C--O 1.253 1.254 0 CA-C-O 117.411 -1.28 . . . . 0.0 108.887 -175.484 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 CA-C-O 120.019 -0.323 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -74.46 120.77 20.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.439 1.096 . . . . 0.0 109.831 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -74.75 -53.23 9.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.635 1.174 . . . . 0.0 110.479 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -154.87 137.96 15.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.491 1.516 . . . . 0.0 109.139 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.77 132.69 49.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.894 1.277 . . . . 0.0 110.19 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -95.56 133.47 39.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.105 0.962 . . . . 0.0 109.23 169.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.57 83.26 5.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -127.81 49.15 2.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.86 1.264 . . . . 0.0 109.908 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.618 1.567 . . . . 0.0 108.313 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -156.17 138.34 14.65 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.873 1.269 . . . . 0.0 109.415 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -157.32 150.54 23.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.211 1.004 . . . . 0.0 110.528 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -144.74 163.25 34.58 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 110.84 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -146.36 163.32 35.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.666 1.586 . . . . 0.0 111.157 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.79 -11.79 58.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.929 1.692 . . . . 0.0 113.05 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.79 -48.02 73.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.393 1.477 . . . . 0.0 111.583 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm 94.72 122.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 tpt 80.2 131.26 0.05 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.22 2.208 . . . . 0.0 110.306 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -84.95 74.62 10.49 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.623 0.769 . . . . 0.0 110.764 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.48 -155.75 0.68 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.073 1.349 . . . . 0.0 110.475 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 p -89.1 -69.75 0.69 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.634 1.974 . . . . 0.0 109.06 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -85.95 66.0 9.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.9 1.68 . . . . 0.0 108.439 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.7 0.24 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -139.33 64.45 1.47 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.527 1.531 . . . . 0.0 109.008 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.64 124.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.524 1.529 . . . . 0.0 107.889 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -141.06 73.32 1.42 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.057 0.543 . . . . 0.0 111.024 -161.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 108.0 3.25 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.672 1.189 . . . . 0.0 110.098 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -144.28 152.54 40.93 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.648 1.579 . . . . 0.0 110.561 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -120.62 63.99 0.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -162.47 107.16 1.17 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 125.715 1.606 . . . . 0.0 107.44 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.13 -1.414 . . . . 0.0 109.466 -171.417 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 120.526 -0.041 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -150.14 -57.09 0.18 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.452 1.501 . . . . 0.0 109.467 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -62.69 -42.19 99.51 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.705 1.202 . . . . 0.0 111.144 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -82.14 70.74 9.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.686 1.194 . . . . 0.0 108.72 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.94 106.55 1.62 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.437 1.095 . . . . 0.0 108.588 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -95.95 136.56 36.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.009 0.924 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.58 -40.85 65.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -66.76 123.47 20.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.104 0.962 . . . . 0.0 109.259 165.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.256 -1.354 . . . . 0.0 110.225 178.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -131.38 101.04 5.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.841 1.257 . . . . 0.0 109.312 -169.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -66.39 131.42 46.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.037 1.335 . . . . 0.0 110.999 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.43 153.25 44.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.896 1.279 . . . . 0.0 111.561 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -144.74 152.75 40.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.224 1.01 . . . . 0.0 110.756 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.86 -1.78 6.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.516 1.926 . . . . 0.0 114.823 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.29 -50.49 72.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.08 1.352 . . . . 0.0 110.763 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -152.57 -131.9 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 ptm -68.75 167.77 14.69 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.913 1.233 . . . . 0.0 112.742 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.11 77.45 8.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 110.566 -167.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -143.4 -172.35 3.69 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.86 1.664 . . . . 0.0 110.253 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -73.93 -78.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.07 1.348 . . . . 0.0 110.175 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.49 80.84 4.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.804 1.641 . . . . 0.0 108.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.107 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -142.28 -75.22 0.29 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.44 1.496 . . . . 0.0 108.084 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -91.66 169.93 10.33 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.185 1.394 . . . . 0.0 110.727 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -159.69 146.67 16.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 110.245 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 153.02 51.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.115 1.766 . . . . 0.0 111.187 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -141.46 150.93 42.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.258 1.823 . . . . 0.0 110.225 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.15 83.43 1.91 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -147.86 61.73 1.13 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.392 1.477 . . . . 0.0 110.525 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.136 172.832 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -158.41 153.27 25.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.015 1.326 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -151.3 140.57 21.34 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.636 1.575 . . . . 0.0 110.113 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.73 127.18 31.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.545 1.138 . . . . 0.0 108.654 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.01 141.85 28.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.969 1.307 . . . . 0.0 110.118 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p -119.89 167.93 11.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.579 1.552 . . . . 0.0 111.127 -171.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -42.57 -59.08 2.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.15 132.53 46.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.634 1.174 . . . . 0.0 109.419 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.165 1.386 . . . . 0.0 112.418 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.846 -0.121 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -70.44 161.56 30.31 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.752 1.221 . . . . 0.0 111.875 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.01 98.5 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.643 1.177 . . . . 0.0 109.766 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.94 -68.69 0.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.785 1.234 . . . . 0.0 109.506 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -104.97 148.77 26.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.889 1.675 . . . . 0.0 109.941 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -77.95 6.5 7.63 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.53 -52.42 32.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.674 1.19 . . . . 0.0 111.551 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 79.44 128.09 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 tpt 76.64 117.06 0.06 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 127.917 2.487 . . . . 0.0 109.662 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -63.82 101.92 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 110.153 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -161.19 161.75 31.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.916 2.086 . . . . 0.0 109.27 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -64.61 -63.99 0.99 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.167 0.987 . . . . 0.0 110.202 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.32 51.42 2.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.967 0.907 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 70.53 -71.17 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 127.451 2.3 . . . . 0.0 111.379 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -160.47 136.29 8.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.783 1.233 . . . . 0.0 109.12 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 160.62 30.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.962 0.905 . . . . 0.0 111.804 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -164.1 124.13 2.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.927 1.291 . . . . 0.0 110.034 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -137.06 171.22 14.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.137 2.175 . . . . 0.0 110.131 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -118.57 84.32 2.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -159.63 99.72 1.43 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 166.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.049 1.739 . . . . 0.0 109.283 -163.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.691 -0.563 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -153.46 -70.64 0.14 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.48 1.112 . . . . 0.0 110.695 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -64.67 121.73 15.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.434 1.093 . . . . 0.0 110.094 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -74.98 114.67 13.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.673 1.189 . . . . 0.0 110.058 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -134.36 68.5 1.48 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.462 1.505 . . . . 0.0 109.003 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -92.74 168.5 11.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.453 1.101 . . . . 0.0 110.996 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -88.6 72.46 8.74 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -108.37 116.15 31.44 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.665 1.586 . . . . 0.0 107.913 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.384 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.581 0.229 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.94 151.13 42.0 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.586 1.154 . . . . 0.0 111.563 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -115.7 100.61 8.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.477 1.511 . . . . 0.0 109.431 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -63.23 137.67 58.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.866 0.866 . . . . 0.0 109.361 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 m -139.18 144.01 38.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.82 1.248 . . . . 0.0 109.77 -170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -77.77 -16.4 58.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.359 1.464 . . . . 0.0 114.008 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.53 -40.83 93.36 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.365 0.984 . . . . 0.0 112.772 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 84.23 121.38 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.4 mtm 68.69 136.76 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.448 2.299 . . . . 0.0 111.423 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -82.5 77.25 9.3 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.946 1.298 . . . . 0.0 110.117 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -141.89 -172.34 3.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -75.34 -87.05 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.985 1.314 . . . . 0.0 111.162 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.37 56.35 2.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.739 1.616 . . . . 0.0 111.136 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -72.79 -75.64 0.14 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.567 1.147 . . . . 0.0 110.437 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -156.78 68.34 0.57 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.386 1.074 . . . . 0.0 109.169 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -116.44 151.06 36.8 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.638 1.975 . . . . 0.0 109.067 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 154.14 46.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.114 1.366 . . . . 0.0 110.944 175.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -149.36 151.97 35.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.539 1.536 . . . . 0.0 109.825 -173.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -99.15 69.55 1.73 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -111.21 39.17 2.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.642 1.177 . . . . 0.0 110.776 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.427 1.491 . . . . 0.0 109.031 -178.427 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -81.5 -67.77 0.75 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.646 1.179 . . . . 0.0 109.712 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.17 141.64 29.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.115 1.366 . . . . 0.0 110.259 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.32 143.65 57.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.78 1.232 . . . . 0.0 111.758 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -126.05 140.63 52.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.861 1.664 . . . . 0.0 109.859 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p -95.15 155.73 16.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.32 1.448 . . . . 0.0 111.016 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -117.86 83.35 1.98 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -92.32 101.72 14.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.154 1.382 . . . . 0.0 110.65 -168.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.742 1.617 . . . . 0.0 108.567 175.052 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -157.55 142.44 16.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.996 1.319 . . . . 0.0 110.021 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.15 96.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.243 2.217 . . . . 0.0 110.381 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.72 177.05 6.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.563 1.945 . . . . 0.0 111.441 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.5 m -65.24 144.25 57.29 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.656 1.582 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.47 21.25 1.5 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.006 1.323 . . . . 0.0 113.994 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -52.67 21.07 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.965 0.906 . . . . 0.0 110.75 177.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 78.71 115.72 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 ttt 78.0 146.61 0.09 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 127.589 2.356 . . . . 0.0 111.476 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 67.53 9.76 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 0.0 110.187 -164.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -132.81 179.29 6.25 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 110.739 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -77.86 -74.06 0.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.314 1.045 . . . . 0.0 109.6 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.0 70.14 9.95 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.257 1.423 . . . . 0.0 108.115 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -76.2 159.92 30.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.879 1.272 . . . . 0.0 111.223 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -99.2 146.52 26.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.571 1.549 . . . . 0.0 109.964 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.23 153.17 19.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.584 1.154 . . . . 0.0 111.255 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -106.25 98.06 7.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.382 1.873 . . . . 0.0 108.761 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p -124.66 162.54 23.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.499 1.919 . . . . 0.0 110.911 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -132.8 71.83 1.48 Allowed 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -150.1 46.55 0.91 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.305 1.842 . . . . 0.0 108.603 169.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.487 1.515 . . . . 0.0 109.122 -166.439 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.38 -67.86 0.58 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.91 1.284 . . . . 0.0 109.894 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -159.63 112.66 2.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.208 1.403 . . . . 0.0 108.078 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -103.99 172.62 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.571 1.548 . . . . 0.0 111.995 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.18 167.76 21.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.079 2.152 . . . . 0.0 109.903 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -135.47 157.65 46.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.254 1.422 . . . . 0.0 110.053 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -59.66 4.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.23 143.51 52.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.551 0.74 . . . . 0.0 110.057 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 126.713 2.005 . . . . 0.0 111.342 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.535 0.207 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -141.37 -59.31 0.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.939 1.296 . . . . 0.0 109.864 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 63.89 82.15 0.19 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.694 1.598 . . . . 0.0 110.154 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.61 163.85 24.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.289 1.436 . . . . 0.0 110.497 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -149.79 153.82 37.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.31 1.044 . . . . 0.0 109.823 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.12 7.99 1.46 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.531 1.532 . . . . 0.0 114.654 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -63.75 -48.49 76.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.706 1.202 . . . . 0.0 111.339 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm 100.0 119.56 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtt 67.71 135.2 0.03 OUTLIER 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.004 2.121 . . . . 0.0 111.909 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -80.02 83.06 5.98 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.975 1.31 . . . . 0.0 108.042 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 179.41 9.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.803 2.441 . . . . 0.0 110.096 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -74.06 -76.1 0.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.272 . . . . 0.0 111.014 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -79.68 88.99 5.15 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.758 1.223 . . . . 0.0 108.782 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -75.15 -60.23 2.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.585 1.154 . . . . 0.0 110.289 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 m80 73.32 153.66 0.14 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.817 2.047 . . . . 0.0 111.936 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -128.66 132.97 48.1 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.966 1.707 . . . . 0.0 108.591 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 92.29 2.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.713 1.205 . . . . 0.0 108.777 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -118.57 160.67 21.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.383 1.473 . . . . 0.0 111.977 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.16 74.82 0.9 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -164.23 155.11 15.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.342 1.457 . . . . 0.0 109.349 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.541 1.936 . . . . 0.0 113.257 179.607 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -142.87 96.1 2.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.94 1.296 . . . . 0.0 109.414 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -143.05 42.76 1.55 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.7 1.2 . . . . 0.0 111.476 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? 49.5 60.25 3.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.308 1.843 . . . . 0.0 112.127 172.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -104.25 91.72 4.05 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 125.028 1.331 . . . . 0.0 109.127 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -66.05 140.0 58.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.798 0.839 . . . . 0.0 110.064 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -44.48 72.66 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.71 140.22 51.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.395 1.078 . . . . 0.0 109.524 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.394 -1.289 . . . . 0.0 109.34 -172.198 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.56 -79.63 0.09 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.0 1.32 . . . . 0.0 110.072 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -160.07 90.12 0.89 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.85 1.66 . . . . 0.0 107.114 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.52 -61.95 1.65 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.75 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -114.54 145.79 41.52 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.864 1.666 . . . . 0.0 108.555 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.9 6.34 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.97 1.308 . . . . 0.0 114.273 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -56.97 -52.24 66.03 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.196 1.398 . . . . 0.0 109.805 169.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 74.58 136.48 0.06 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 tmt? 84.98 142.07 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.726 2.81 . . . . 0.0 111.051 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 60.2 0.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.585 2.354 . . . . 0.0 114.932 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -134.76 171.33 14.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.94 1.296 . . . . 0.0 109.556 160.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -67.28 -76.51 0.08 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.664 1.186 . . . . 0.0 110.053 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.13 60.44 5.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.204 1.402 . . . . 0.0 110.369 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -157.36 79.02 0.88 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.856 1.262 . . . . 0.0 108.012 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -123.67 161.71 24.54 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.704 1.602 . . . . 0.0 111.052 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.95 157.25 47.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.542 1.537 . . . . 0.0 110.715 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 63.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.621 1.568 . . . . 0.0 108.89 -174.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p -64.79 154.65 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.323 1.449 . . . . 0.0 110.919 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.67 -36.48 0.95 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 100.39 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.037 0.835 . . . . 0.0 108.767 170.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.401 1.48 . . . . 0.0 109.407 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.225 0 CA-C-O 119.846 -0.419 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.64 78.96 7.65 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.623 1.169 . . . . 0.0 108.672 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -146.72 75.36 1.39 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.076 1.75 . . . . 0.0 106.895 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -155.51 84.79 1.05 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.355 1.462 . . . . 0.0 107.365 -172.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -151.07 87.83 1.42 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.77 1.628 . . . . 0.0 107.42 -173.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p -81.19 164.5 22.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.881 1.273 . . . . 0.0 111.458 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -96.26 -63.69 1.12 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? 74.19 63.25 0.08 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.408 1.883 . . . . 0.0 110.166 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.291 -1.337 . . . . 0.0 109.661 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.1 t0 75.0 -59.23 0.55 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.874 2.07 . . . . 0.0 111.772 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 64.93 68.09 0.52 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.255 1.822 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.58 161.57 24.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.459 1.103 . . . . 0.0 111.079 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 m -60.32 144.93 49.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 110.427 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.31 0.81 4.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.972 1.309 . . . . 0.0 114.304 -176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -56.83 -53.32 59.24 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.696 1.198 . . . . 0.0 111.698 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 99.13 129.49 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt 77.28 119.95 0.05 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.625 1.57 . . . . 0.0 110.978 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 78.54 3.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.611 1.164 . . . . 0.0 110.47 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.29 -175.54 4.38 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.53 1.532 . . . . 0.0 110.447 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -69.22 -62.37 1.41 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.596 0.758 . . . . 0.0 109.557 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.75 65.78 9.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.959 1.304 . . . . 0.0 109.142 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -72.98 -66.63 0.65 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.684 1.194 . . . . 0.0 110.317 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -85.97 161.69 18.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.165 1.386 . . . . 0.0 111.998 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.47 173.57 12.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.626 1.57 . . . . 0.0 111.423 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.76 100.78 4.11 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.583 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -75.3 -176.59 3.16 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.531 1.532 . . . . 0.0 111.619 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -174.84 -67.55 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 tttp 55.97 41.59 29.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.384 2.673 . . . . 0.0 114.339 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.8 mttt . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.589 1.555 . . . . 0.0 108.173 176.935 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 87.41 2.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.634 1.173 . . . . 0.0 109.199 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 t60 56.02 28.74 13.23 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.322 1.449 . . . . 0.0 112.242 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mptt 61.2 166.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.079 1.752 . . . . 0.0 112.772 -173.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 117.23 28.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.265 1.826 . . . . 0.0 107.434 170.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -125.2 167.79 14.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.662 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.99 -45.99 92.55 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -64.93 137.29 57.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.177 0.991 . . . . 0.0 110.062 166.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.431 -1.271 . . . . 0.0 108.299 171.485 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.73 0.3 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.33 -77.69 0.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.474 1.109 . . . . 0.0 109.271 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 164.56 25.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.383 1.073 . . . . 0.0 111.764 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.94 152.91 50.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.871 1.669 . . . . 0.0 110.391 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -73.31 146.45 45.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.881 1.673 . . . . 0.0 110.936 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.22 -11.16 19.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.769 1.627 . . . . 0.0 115.094 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -51.25 -50.23 59.6 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.359 1.464 . . . . 0.0 111.309 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 108.67 121.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mtt 61.26 143.43 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.221 2.608 . . . . 0.0 113.281 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -78.98 87.3 4.8 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.617 1.167 . . . . 0.0 109.04 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -142.72 -174.85 4.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.9 p -70.91 -70.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.137 0.975 . . . . 0.0 109.72 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.94 61.02 6.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.53 1.532 . . . . 0.0 109.642 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -153.93 104.73 2.69 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.416 1.486 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -87.85 122.84 31.97 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.167 1.387 . . . . 0.0 109.732 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.97 152.18 23.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.827 1.251 . . . . 0.0 109.3 172.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -80.27 105.96 11.93 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.434 1.094 . . . . 0.0 109.518 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p -130.68 172.89 11.46 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.661 1.584 . . . . 0.0 111.004 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.78 -44.9 96.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -62.59 164.68 7.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.948 1.299 . . . . 0.0 111.446 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.225 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -149.15 -56.76 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.52 1.528 . . . . 0.0 109.353 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -158.51 141.77 14.94 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.658 1.583 . . . . 0.0 109.22 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -150.02 152.91 35.63 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.614 1.166 . . . . 0.0 111.104 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -97.53 128.83 44.59 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.303 1.441 . . . . 0.0 109.422 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p -97.65 150.27 21.35 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.991 1.316 . . . . 0.0 108.78 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -50.76 -49.72 57.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -73.19 101.82 3.45 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.228 1.011 . . . . 0.0 110.085 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.224 1.81 . . . . 0.0 108.097 173.671 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.34 162.27 28.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.75 1.22 . . . . 0.0 111.353 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -130.37 114.79 16.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.753 1.621 . . . . 0.0 108.825 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.89 -54.45 10.02 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.915 1.286 . . . . 0.0 111.597 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m -128.69 147.3 50.74 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.778 1.231 . . . . 0.0 110.168 -166.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.85 -29.38 55.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.155 1.782 . . . . 0.0 112.636 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -36.55 -49.09 0.73 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.124 2.57 . . . . 0.0 113.388 173.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? 102.45 120.97 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mtt 68.12 129.03 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 128.203 2.601 . . . . 0.0 113.456 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -72.13 86.09 1.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.572 2.349 . . . . 0.0 108.122 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -153.14 -173.33 4.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.175 0.99 . . . . 0.0 110.938 -165.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.5 p -73.92 -82.06 0.06 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.37 1.868 . . . . 0.0 109.387 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.8 65.81 8.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.207 1.003 . . . . 0.0 109.11 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.74 154.27 44.4 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.602 1.561 . . . . 0.0 110.179 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -160.06 122.55 3.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.66 1.184 . . . . 0.0 109.629 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -139.31 111.82 7.68 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.348 1.859 . . . . 0.0 107.65 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -79.87 84.45 5.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.673 1.189 . . . . 0.0 108.21 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p -125.43 161.31 27.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.928 1.691 . . . . 0.0 110.962 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -129.5 72.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -153.01 110.34 3.52 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.395 1.478 . . . . 0.0 108.321 173.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.305 1.442 . . . . 0.0 109.04 179.63 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -94.46 81.14 3.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.271 1.429 . . . . 0.0 110.375 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -82.0 169.49 16.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 111.529 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.03 45.36 2.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.93 1.692 . . . . 0.0 110.439 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -142.19 126.47 17.58 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.258 1.823 . . . . 0.0 108.61 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p -96.74 151.91 19.18 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.482 1.113 . . . . 0.0 110.905 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -51.04 -50.01 59.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.08 142.11 47.58 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.139 0.975 . . . . 0.0 109.963 168.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 C-N-CA 125.602 1.561 . . . . 0.0 109.968 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.355 1.462 . . . . 0.0 111.277 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -62.38 139.56 58.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.238 1.415 . . . . 0.0 111.368 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.23 160.44 41.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.963 1.705 . . . . 0.0 110.08 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -107.68 141.04 39.8 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.562 1.145 . . . . 0.0 110.083 -170.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.59 -24.85 64.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.23 1.812 . . . . 0.0 113.5 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -44.48 -42.02 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.706 2.003 . . . . 0.0 112.633 173.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? 82.08 127.82 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 96.88 146.96 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.681 3.193 . . . . 0.0 111.343 179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -75.42 65.56 1.71 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.892 2.077 . . . . 0.0 113.325 -166.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -148.43 161.91 40.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.628 1.971 . . . . 0.0 109.353 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.0 p -62.39 -69.86 0.23 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.975 1.31 . . . . 0.0 111.053 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.44 60.39 5.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.243 1.417 . . . . 0.0 109.443 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.239 0 N-CA-C 112.894 -0.082 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -65.74 116.42 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.684 1.193 . . . . 0.0 110.358 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -150.93 158.68 44.45 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.681 1.192 . . . . 0.0 111.316 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -125.92 163.19 23.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.021 2.128 . . . . 0.0 111.091 -169.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 56.55 64.8 1.57 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 110.386 -174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p -97.83 160.72 14.13 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.538 1.535 . . . . 0.0 111.283 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -49.39 -51.88 32.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.34 129.06 38.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.971 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.415 -1.278 . . . . 0.0 108.019 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.076 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -152.23 139.51 19.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.72 1.208 . . . . 0.0 109.702 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -161.92 -57.44 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.608 1.563 . . . . 0.0 108.436 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -100.41 -178.45 3.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.984 . . . . 0.0 111.409 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt 60.67 57.68 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.065 1.746 . . . . 0.0 110.228 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p -80.8 159.71 25.05 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.486 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -52.91 -51.05 62.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -64.37 111.01 2.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.195 1.398 . . . . 0.0 109.863 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.844 1.257 . . . . 0.0 108.757 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -83.94 -62.76 1.49 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.693 1.197 . . . . 0.0 110.582 -176.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -144.05 103.32 4.0 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.684 1.194 . . . . 0.0 108.072 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.03 126.33 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.217 1.407 . . . . 0.0 109.629 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -115.19 146.15 41.69 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 110.197 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.66 -15.63 62.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.008 1.723 . . . . 0.0 113.54 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -53.82 -46.28 71.09 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.537 1.535 . . . . 0.0 112.361 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 79.08 143.27 0.08 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 tmm? 76.02 148.15 0.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.091 2.556 . . . . 0.0 112.269 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -63.18 80.14 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.3 2.24 . . . . 0.0 111.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -160.04 160.37 33.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.559 1.944 . . . . 0.0 109.776 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.0 p -65.64 -94.89 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.564 1.946 . . . . 0.0 111.64 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.13 66.16 9.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.378 1.471 . . . . 0.0 110.558 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -91.79 54.09 2.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.67 1.188 . . . . 0.0 110.442 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.41 -45.02 14.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.353 1.461 . . . . 0.0 110.743 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -70.66 153.25 43.02 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.033 1.333 . . . . 0.0 111.417 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -153.2 81.59 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 109.4 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p -85.06 176.88 8.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.786 1.235 . . . . 0.0 112.347 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.94 -17.67 52.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -80.99 154.52 26.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.449 1.1 . . . . 0.0 110.496 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.223 -1.37 . . . . 0.0 109.862 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -87.19 97.08 10.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.192 1.397 . . . . 0.0 109.609 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.07 -56.06 0.08 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.032 1.333 . . . . 0.0 110.609 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -114.47 148.49 37.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.266 1.826 . . . . 0.0 109.762 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm 54.17 65.12 1.6 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.745 1.618 . . . . 0.0 110.203 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p -113.06 152.95 28.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.416 1.886 . . . . 0.0 109.761 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -42.12 -47.21 4.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -73.73 125.18 27.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.2 1.4 . . . . 0.0 109.526 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 pttt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.757 -177.745 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -160.34 162.73 33.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.444 1.498 . . . . 0.0 110.636 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 60.37 71.13 0.58 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.84 1.656 . . . . 0.0 110.917 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.46 82.92 3.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.269 1.428 . . . . 0.0 109.231 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -141.99 133.34 26.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.001 1.32 . . . . 0.0 109.407 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.47 -12.62 61.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.02 1.328 . . . . 0.0 114.361 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -50.78 -44.04 58.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 0.0 112.304 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp 96.25 112.63 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ttm 75.4 128.72 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 111.33 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -75.75 85.76 2.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 111.315 -170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -141.13 -167.82 2.48 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.002 1.321 . . . . 0.0 109.905 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.9 p -78.12 -74.09 0.28 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.797 0.839 . . . . 0.0 110.1 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -85.37 56.7 4.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.944 1.298 . . . . 0.0 109.931 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.999 -0.44 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -89.42 111.47 22.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.34 1.456 . . . . 0.0 108.985 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -131.58 160.14 36.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.455 1.502 . . . . 0.0 110.814 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -154.58 162.51 41.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.957 1.303 . . . . 0.0 110.968 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 136.22 47.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.798 1.239 . . . . 0.0 111.578 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -143.84 -170.65 3.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.82 1.648 . . . . 0.0 110.26 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -153.85 89.16 1.29 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -101.47 56.05 0.83 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.769 1.228 . . . . 0.0 109.438 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 110.235 -172.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -81.15 69.65 7.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.896 1.278 . . . . 0.0 110.098 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -97.27 100.88 12.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.414 1.485 . . . . 0.0 108.832 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.86 113.88 23.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.71 1.604 . . . . 0.0 108.749 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -141.43 107.46 5.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.658 1.583 . . . . 0.0 107.826 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p -79.88 151.65 30.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.583 0.753 . . . . 0.0 110.647 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -52.64 50.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.43 127.06 30.28 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.588 0.755 . . . . 0.0 109.47 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.971 1.308 . . . . 0.0 108.122 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.27 146.12 19.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.617 1.567 . . . . 0.0 109.66 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.67 138.16 39.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 109.267 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.83 -50.75 26.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.261 1.424 . . . . 0.0 111.705 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -143.15 165.21 28.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.415 1.486 . . . . 0.0 111.027 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.59 -19.3 65.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.183 1.793 . . . . 0.0 113.295 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.14 -45.42 61.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.206 1.402 . . . . 0.0 112.333 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 80.29 146.12 0.09 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.2 tmm? 82.77 139.67 0.06 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.37 2.668 . . . . 0.0 110.281 -167.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.5 96.07 0.36 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 111.812 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -164.93 171.4 14.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.695 1.598 . . . . 0.0 109.841 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.5 p -76.85 -64.55 1.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.117 0.967 . . . . 0.0 109.395 172.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.02 58.46 5.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.7 1.6 . . . . 0.0 109.931 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.053 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.13 -90.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.787 1.235 . . . . 0.0 108.932 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.81 97.88 6.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.136 1.374 . . . . 0.0 109.32 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -145.05 -167.72 2.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.394 1.478 . . . . 0.0 109.888 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 80.59 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.003 1.321 . . . . 0.0 111.67 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -109.79 173.66 6.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.657 1.983 . . . . 0.0 110.381 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 77.13 1.33 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -164.96 83.74 0.38 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.862 1.265 . . . . 0.0 109.266 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.46 -1.257 . . . . 0.0 108.664 172.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -60.41 -55.22 36.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.058 1.343 . . . . 0.0 111.304 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.32 116.4 13.83 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.443 1.097 . . . . 0.0 109.088 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.5 104.44 2.33 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.755 1.622 . . . . 0.0 109.036 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -113.2 94.07 4.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.511 1.124 . . . . 0.0 110.264 -165.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -74.38 162.66 28.64 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.61 1.564 . . . . 0.0 112.648 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -57.87 -43.33 85.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.18 129.98 42.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.535 0.734 . . . . 0.0 109.777 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.377 -162.179 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 53.2 69.2 0.73 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.249 1.819 . . . . 0.0 110.817 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.81 132.25 28.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.003 1.721 . . . . 0.0 109.849 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.59 -36.28 38.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.273 1.429 . . . . 0.0 111.505 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -60.05 160.1 8.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.437 1.495 . . . . 0.0 112.945 -174.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.82 -6.87 44.75 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.755 1.622 . . . . 0.0 114.46 -171.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.9 -43.88 86.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.486 1.115 . . . . 0.0 112.075 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 79.71 132.46 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 79.51 143.34 0.08 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.937 1.695 . . . . 0.0 110.564 -178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -67.91 74.67 0.2 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.935 2.094 . . . . 0.0 110.954 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -146.82 148.19 31.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.586 1.554 . . . . 0.0 108.874 171.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -54.11 -67.47 0.26 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.489 1.516 . . . . 0.0 111.895 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -98.48 120.48 38.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.389 1.475 . . . . 0.0 107.477 172.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -148.42 132.93 17.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.225 1.41 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -84.82 67.87 10.26 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.701 1.2 . . . . 0.0 110.667 -168.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -129.59 140.42 51.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.201 1.8 . . . . 0.0 107.904 170.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 78.94 9.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.285 -172.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -106.08 -176.76 3.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.6 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -169.67 -48.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -81.61 70.92 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.06 1.744 . . . . 0.0 108.275 174.529 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -74.49 109.19 7.77 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.751 1.22 . . . . 0.0 110.084 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -146.9 -178.86 6.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.904 1.682 . . . . 0.0 110.404 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tttp 70.28 -161.83 0.16 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.436 1.495 . . . . 0.0 110.364 -172.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.46 120.14 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.175 1.79 . . . . 0.0 107.814 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -75.79 146.02 40.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 110.37 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.71 -84.06 0.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.08 107.74 1.62 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.15 1.78 . . . . 0.0 110.764 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.467 -1.254 . . . . 0.0 109.835 176.835 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.808 -0.071 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.32 85.87 1.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.284 1.433 . . . . 0.0 110.336 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -158.65 156.94 30.91 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 110.818 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.02 147.21 8.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.215 1.806 . . . . 0.0 109.563 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -125.41 166.99 15.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.213 1.405 . . . . 0.0 111.396 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -77.63 -3.5 41.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.937 1.695 . . . . 0.0 113.169 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.19 -43.72 82.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 110.646 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 75.03 135.54 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 tpt 103.04 150.15 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.881 3.272 . . . . 0.0 110.463 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -75.38 71.36 2.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.891 1.276 . . . . 0.0 112.26 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -141.86 -176.98 4.98 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.534 1.134 . . . . 0.0 110.659 175.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -78.8 -74.15 0.29 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.641 1.176 . . . . 0.0 108.591 170.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -86.15 61.41 6.82 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.177 1.791 . . . . 0.0 108.779 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -150.1 85.27 1.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.483 1.513 . . . . 0.0 107.969 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -59.85 126.81 29.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.827 1.251 . . . . 0.0 109.833 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -153.19 82.1 1.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.309 1.044 . . . . 0.0 108.76 -175.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -136.31 79.32 1.76 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.606 1.562 . . . . 0.0 108.692 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -70.92 145.83 49.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.408 1.083 . . . . 0.0 111.252 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -118.19 83.93 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -162.25 90.34 0.74 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 167.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 pttt . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.818 1.647 . . . . 0.0 111.655 -170.784 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 120.946 0.192 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -103.3 -59.95 1.63 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.536 1.534 . . . . 0.0 110.08 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.72 174.1 15.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.823 1.649 . . . . 0.0 110.377 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -146.04 128.54 16.01 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 108.978 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.44 120.62 24.68 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.595 1.558 . . . . 0.0 110.359 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -90.03 148.01 23.32 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.094 1.357 . . . . 0.0 110.368 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.96 -49.39 75.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 151.75 46.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.817 0.847 . . . . 0.0 110.407 173.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 tptt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.676 1.99 . . . . 0.0 110.751 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.11 101.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.671 1.988 . . . . 0.0 111.233 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -72.55 157.61 37.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.017 1.327 . . . . 0.0 111.132 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.89 -46.91 86.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.899 1.279 . . . . 0.0 111.264 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -128.71 153.8 46.97 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.019 1.728 . . . . 0.0 111.062 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -80.65 -3.46 50.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.303 1.441 . . . . 0.0 112.561 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.57 -39.79 81.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.326 1.051 . . . . 0.0 111.071 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm 85.6 113.96 0.05 OUTLIER 'General case' 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.6 ttm 71.16 135.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.794 2.038 . . . . 0.0 111.352 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.05 87.78 6.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.024 0.93 . . . . 0.0 110.291 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -138.62 -171.98 3.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.342 2.257 . . . . 0.0 109.046 168.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.8 p -76.59 -71.62 0.38 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.556 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.46 60.3 5.95 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.476 1.51 . . . . 0.0 109.735 -175.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -156.8 134.7 11.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.838 1.255 . . . . 0.0 109.765 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -122.29 37.91 4.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.561 1.544 . . . . 0.0 110.321 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -91.24 74.27 6.19 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.306 1.442 . . . . 0.0 108.194 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 67.88 155.59 0.11 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.391 2.276 . . . . 0.0 112.207 -176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -112.11 141.71 45.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.281 1.432 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -43.19 -49.77 6.45 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -81.17 75.79 8.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.064 1.346 . . . . 0.0 108.792 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.432 1.893 . . . . 0.0 112.417 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -70.28 -64.85 0.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.877 1.271 . . . . 0.0 110.159 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -126.89 106.43 9.31 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.014 1.726 . . . . 0.0 108.485 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 114.69 16.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.911 1.284 . . . . 0.0 108.066 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.87 126.76 30.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.688 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -119.23 156.24 30.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.968 1.307 . . . . 0.0 111.98 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -54.85 -57.48 11.44 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -71.19 132.22 44.68 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 124.981 1.312 . . . . 0.0 108.912 -177.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.79 146.41 3.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.556 1.542 . . . . 0.0 109.366 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.88 145.18 30.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.797 1.239 . . . . 0.0 110.372 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.9 mt 68.01 149.4 0.06 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.392 2.277 . . . . 0.0 112.712 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -78.78 151.81 31.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.968 1.307 . . . . 0.0 111.781 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.13 -17.22 60.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.825 1.65 . . . . 0.0 112.781 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -50.61 -44.41 57.11 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.95 1.3 . . . . 0.0 111.496 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? 78.35 132.0 0.05 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 tpt 81.13 99.97 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.949 2.9 . . . . 0.0 111.753 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.6 tttt 77.1 119.89 0.05 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.202 2.201 . . . . 0.0 110.978 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.76 43.48 0.58 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.303 1.441 . . . . 0.0 113.382 -174.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.4 p -142.48 -85.66 0.16 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.284 1.833 . . . . 0.0 107.667 168.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -93.21 109.21 20.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.447 1.499 . . . . 0.0 107.608 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -152.34 158.08 42.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 110.891 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -89.67 107.41 19.07 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.273 1.429 . . . . 0.0 109.648 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.93 142.48 43.98 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.702 1.201 . . . . 0.0 108.912 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -80.42 84.33 6.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.597 1.159 . . . . 0.0 109.43 -173.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p -116.47 173.77 6.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.601 1.96 . . . . 0.0 110.572 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -38.7 68.76 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -79.87 77.97 6.5 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 166.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.489 1.516 . . . . 0.0 109.902 -179.636 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 N-CA-C 113.23 0.052 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -159.86 148.43 17.37 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.795 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -145.96 -53.12 0.26 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.707 1.603 . . . . 0.0 109.909 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -73.25 120.78 19.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 110.631 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 127.8 32.49 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.198 1.399 . . . . 0.0 110.139 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -89.69 142.02 28.07 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.925 0.89 . . . . 0.0 109.81 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -51.53 -48.87 62.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.57 144.96 56.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.505 1.122 . . . . 0.0 110.253 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.484 -1.246 . . . . 0.0 109.958 178.552 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.06 -51.31 1.32 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.174 1.79 . . . . 0.0 108.855 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -85.53 173.39 10.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.903 1.681 . . . . 0.0 111.42 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 mt 70.13 111.19 0.05 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.231 2.212 . . . . 0.0 111.724 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -61.99 160.23 12.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.667 1.587 . . . . 0.0 112.774 -177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.79 6.09 5.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.759 1.623 . . . . 0.0 114.152 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.8 -50.65 40.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 109.917 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt 75.38 139.84 0.06 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.08 111.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.948 2.899 . . . . 0.0 111.871 -175.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 tttp 74.01 162.67 0.26 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.214 1.805 . . . . 0.0 110.447 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.33 35.35 4.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.503 1.121 . . . . 0.0 111.355 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 p -142.93 -102.41 0.13 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.544 1.538 . . . . 0.0 108.329 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.64 113.6 10.94 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -69.34 166.5 18.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.298 1.439 . . . . 0.0 112.006 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -132.05 158.29 41.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.268 1.427 . . . . 0.0 111.533 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.32 133.83 35.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.009 1.724 . . . . 0.0 109.703 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 61.14 0.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.57 1.548 . . . . 0.0 108.846 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -64.91 145.96 55.59 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 124.563 1.145 . . . . 0.0 110.708 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -99.32 56.73 1.02 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.48 142.4 32.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.916 2.087 . . . . 0.0 108.218 167.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.582 1.553 . . . . 0.0 110.872 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.95 167.0 23.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.564 1.546 . . . . 0.0 110.34 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -82.21 30.14 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.002 1.321 . . . . 0.0 112.834 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -161.27 133.9 6.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.858 0.863 . . . . 0.0 109.757 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -115.05 120.08 38.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.908 1.683 . . . . 0.0 108.246 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p -128.68 167.31 17.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.064 1.346 . . . . 0.0 111.665 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 56.04 1.5 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -86.96 159.58 18.96 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.142 1.377 . . . . 0.0 110.66 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 tptt . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.747 1.219 . . . . 0.0 109.981 -175.413 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG3' HG11 ' A' ' 55' ' ' VAL . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 100' ' ' ILE . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.232 0.539 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.517 0.199 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.938 0.399 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.334 0.587 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.831 0.348 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.846 0.355 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.588 0.708 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.705 0.288 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp . . . . . 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.842 0.353 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 112' ' ' LEU . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.837 -0.125 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 121.366 0.603 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.3 0.571 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 CA--C 1.538 0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.742 0.782 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.169 0.509 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' C' ' 15' ' ' ILE . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 32' ' ' LEU . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.717 0.294 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' ILE . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' LEU . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.523 0.678 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 121.194 0.521 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp . . . . . 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.978 0.418 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.421 ' HB3' ' CH2' ' B' ' 18' ' ' TRP . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.19 0.519 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 124' ' ' MET . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.073 0.463 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.933 0.397 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 121.237 0.541 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.464 ' C ' HD23 ' B' ' 12' ' ' LEU . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.201 0.524 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.956 0.408 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 119.719 -0.181 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.342 0.115 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.688 0.28 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm . . . . . 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm . . . . . 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.76 0.791 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.487 0.661 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.681 0.277 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.191 0.52 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -138.25 28.63 2.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.626 1.17 . . . . 0.0 111.647 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -166.14 132.53 2.55 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.337 1.455 . . . . 0.0 109.399 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 pp -98.23 154.78 17.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.789 1.636 . . . . 0.0 110.541 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -143.65 148.89 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.114 1.366 . . . . 0.0 109.086 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.81 -2.63 7.54 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.18 -44.52 67.95 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.153 1.381 . . . . 0.0 111.987 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 54.2 tp60 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG3' HG11 ' A' ' 55' ' ' VAL . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.45 152.5 0.13 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.6 tpt 73.74 153.7 0.14 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.436 2.295 . . . . 0.0 111.166 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -74.5 56.59 0.68 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.703 1.601 . . . . 0.0 111.856 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -133.65 171.45 14.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.641 1.976 . . . . 0.0 109.196 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.3 p -78.13 -87.44 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.339 1.055 . . . . 0.0 110.895 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -90.19 69.5 7.18 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 125.029 1.331 . . . . 0.0 108.591 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 100' ' ' ILE . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -163.81 150.35 11.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.578 1.151 . . . . 0.0 110.946 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -149.59 -66.8 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.696 1.598 . . . . 0.0 109.147 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 150.27 31.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 110.569 171.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.792 1.237 . . . . 0.0 111.263 -175.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -84.97 -176.45 6.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.796 1.638 . . . . 0.0 111.625 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.28 69.65 1.29 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -154.09 104.9 2.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.15 1.78 . . . . 0.0 107.371 169.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt . . . . . 0 C--O 1.253 1.254 0 CA-C-O 117.411 -1.28 . . . . 0.0 108.887 -175.484 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 CA-C-O 120.019 -0.323 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -74.46 120.77 20.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.439 1.096 . . . . 0.0 109.831 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -74.75 -53.23 9.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.635 1.174 . . . . 0.0 110.479 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -154.87 137.96 15.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.491 1.516 . . . . 0.0 109.139 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.77 132.69 49.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.894 1.277 . . . . 0.0 110.19 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -95.56 133.47 39.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.105 0.962 . . . . 0.0 109.23 169.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.57 83.26 5.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -127.81 49.15 2.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.86 1.264 . . . . 0.0 109.908 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.618 1.567 . . . . 0.0 108.313 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -156.17 138.34 14.65 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.873 1.269 . . . . 0.0 109.415 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -157.32 150.54 23.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.211 1.004 . . . . 0.0 110.528 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -144.74 163.25 34.58 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 110.84 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -146.36 163.32 35.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.666 1.586 . . . . 0.0 111.157 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.79 -11.79 58.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.929 1.692 . . . . 0.0 113.05 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.79 -48.02 73.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.393 1.477 . . . . 0.0 111.583 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm 94.72 122.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 tpt 80.2 131.26 0.05 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.22 2.208 . . . . 0.0 110.306 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -84.95 74.62 10.49 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.623 0.769 . . . . 0.0 110.764 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.48 -155.75 0.68 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.073 1.349 . . . . 0.0 110.475 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 p -89.1 -69.75 0.69 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.634 1.974 . . . . 0.0 109.06 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -85.95 66.0 9.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.9 1.68 . . . . 0.0 108.439 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.7 0.24 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -139.33 64.45 1.47 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.527 1.531 . . . . 0.0 109.008 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.64 124.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.524 1.529 . . . . 0.0 107.889 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -141.06 73.32 1.42 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.057 0.543 . . . . 0.0 111.024 -161.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 108.0 3.25 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.672 1.189 . . . . 0.0 110.098 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -144.28 152.54 40.93 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.648 1.579 . . . . 0.0 110.561 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -120.62 63.99 0.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -162.47 107.16 1.17 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 125.715 1.606 . . . . 0.0 107.44 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.13 -1.414 . . . . 0.0 109.466 -171.417 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 120.526 -0.041 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -150.14 -57.09 0.18 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.452 1.501 . . . . 0.0 109.467 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -62.69 -42.19 99.51 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.705 1.202 . . . . 0.0 111.144 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -82.14 70.74 9.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.686 1.194 . . . . 0.0 108.72 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.94 106.55 1.62 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.437 1.095 . . . . 0.0 108.588 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -95.95 136.56 36.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.009 0.924 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.58 -40.85 65.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -66.76 123.47 20.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.104 0.962 . . . . 0.0 109.259 165.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.256 -1.354 . . . . 0.0 110.225 178.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -131.38 101.04 5.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.841 1.257 . . . . 0.0 109.312 -169.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -66.39 131.42 46.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.037 1.335 . . . . 0.0 110.999 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.43 153.25 44.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.896 1.279 . . . . 0.0 111.561 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -144.74 152.75 40.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.224 1.01 . . . . 0.0 110.756 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.86 -1.78 6.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.516 1.926 . . . . 0.0 114.823 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.29 -50.49 72.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.08 1.352 . . . . 0.0 110.763 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -152.57 -131.9 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 ptm -68.75 167.77 14.69 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.913 1.233 . . . . 0.0 112.742 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.11 77.45 8.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 110.566 -167.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -143.4 -172.35 3.69 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.86 1.664 . . . . 0.0 110.253 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -73.93 -78.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.07 1.348 . . . . 0.0 110.175 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.49 80.84 4.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.804 1.641 . . . . 0.0 108.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.107 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -142.28 -75.22 0.29 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.44 1.496 . . . . 0.0 108.084 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -91.66 169.93 10.33 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.185 1.394 . . . . 0.0 110.727 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -159.69 146.67 16.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 110.245 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 153.02 51.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.115 1.766 . . . . 0.0 111.187 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -141.46 150.93 42.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.258 1.823 . . . . 0.0 110.225 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.15 83.43 1.91 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -147.86 61.73 1.13 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.392 1.477 . . . . 0.0 110.525 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.136 172.832 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -158.41 153.27 25.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.015 1.326 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -151.3 140.57 21.34 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.636 1.575 . . . . 0.0 110.113 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.73 127.18 31.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.545 1.138 . . . . 0.0 108.654 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.01 141.85 28.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.969 1.307 . . . . 0.0 110.118 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p -119.89 167.93 11.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.579 1.552 . . . . 0.0 111.127 -171.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -42.57 -59.08 2.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.15 132.53 46.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.634 1.174 . . . . 0.0 109.419 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.165 1.386 . . . . 0.0 112.418 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.846 -0.121 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -70.44 161.56 30.31 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.752 1.221 . . . . 0.0 111.875 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.01 98.5 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.643 1.177 . . . . 0.0 109.766 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.94 -68.69 0.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.785 1.234 . . . . 0.0 109.506 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -104.97 148.77 26.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.889 1.675 . . . . 0.0 109.941 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -77.95 6.5 7.63 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.53 -52.42 32.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.674 1.19 . . . . 0.0 111.551 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 79.44 128.09 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 tpt 76.64 117.06 0.06 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 127.917 2.487 . . . . 0.0 109.662 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -63.82 101.92 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 110.153 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -161.19 161.75 31.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.916 2.086 . . . . 0.0 109.27 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -64.61 -63.99 0.99 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.167 0.987 . . . . 0.0 110.202 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.32 51.42 2.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.967 0.907 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 70.53 -71.17 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 127.451 2.3 . . . . 0.0 111.379 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -160.47 136.29 8.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.783 1.233 . . . . 0.0 109.12 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 160.62 30.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.962 0.905 . . . . 0.0 111.804 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -164.1 124.13 2.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.927 1.291 . . . . 0.0 110.034 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -137.06 171.22 14.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.137 2.175 . . . . 0.0 110.131 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -118.57 84.32 2.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -159.63 99.72 1.43 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 166.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.049 1.739 . . . . 0.0 109.283 -163.461 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.691 -0.563 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -153.46 -70.64 0.14 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.48 1.112 . . . . 0.0 110.695 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -64.67 121.73 15.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.434 1.093 . . . . 0.0 110.094 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -74.98 114.67 13.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.673 1.189 . . . . 0.0 110.058 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -134.36 68.5 1.48 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.462 1.505 . . . . 0.0 109.003 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -92.74 168.5 11.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.453 1.101 . . . . 0.0 110.996 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -88.6 72.46 8.74 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -108.37 116.15 31.44 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.665 1.586 . . . . 0.0 107.913 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.384 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.581 0.229 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.94 151.13 42.0 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.586 1.154 . . . . 0.0 111.563 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -115.7 100.61 8.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.477 1.511 . . . . 0.0 109.431 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -63.23 137.67 58.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.866 0.866 . . . . 0.0 109.361 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 m -139.18 144.01 38.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.82 1.248 . . . . 0.0 109.77 -170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -77.77 -16.4 58.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.359 1.464 . . . . 0.0 114.008 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.53 -40.83 93.36 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.365 0.984 . . . . 0.0 112.772 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 84.23 121.38 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.4 mtm 68.69 136.76 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.448 2.299 . . . . 0.0 111.423 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -82.5 77.25 9.3 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.946 1.298 . . . . 0.0 110.117 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -141.89 -172.34 3.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -75.34 -87.05 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.985 1.314 . . . . 0.0 111.162 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.37 56.35 2.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.739 1.616 . . . . 0.0 111.136 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -72.79 -75.64 0.14 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.567 1.147 . . . . 0.0 110.437 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -156.78 68.34 0.57 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.386 1.074 . . . . 0.0 109.169 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -116.44 151.06 36.8 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.638 1.975 . . . . 0.0 109.067 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 154.14 46.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.114 1.366 . . . . 0.0 110.944 175.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -149.36 151.97 35.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.539 1.536 . . . . 0.0 109.825 -173.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -99.15 69.55 1.73 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -111.21 39.17 2.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.642 1.177 . . . . 0.0 110.776 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.427 1.491 . . . . 0.0 109.031 -178.427 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -81.5 -67.77 0.75 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.646 1.179 . . . . 0.0 109.712 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.17 141.64 29.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.115 1.366 . . . . 0.0 110.259 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.32 143.65 57.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.78 1.232 . . . . 0.0 111.758 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -126.05 140.63 52.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.861 1.664 . . . . 0.0 109.859 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p -95.15 155.73 16.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.32 1.448 . . . . 0.0 111.016 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -117.86 83.35 1.98 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -92.32 101.72 14.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.154 1.382 . . . . 0.0 110.65 -168.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.742 1.617 . . . . 0.0 108.567 175.052 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -157.55 142.44 16.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.996 1.319 . . . . 0.0 110.021 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.15 96.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.243 2.217 . . . . 0.0 110.381 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.72 177.05 6.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.563 1.945 . . . . 0.0 111.441 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.5 m -65.24 144.25 57.29 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.656 1.582 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.47 21.25 1.5 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.006 1.323 . . . . 0.0 113.994 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -52.67 21.07 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.965 0.906 . . . . 0.0 110.75 177.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 78.71 115.72 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 ttt 78.0 146.61 0.09 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 127.589 2.356 . . . . 0.0 111.476 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 67.53 9.76 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 0.0 110.187 -164.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -132.81 179.29 6.25 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 110.739 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -77.86 -74.06 0.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.314 1.045 . . . . 0.0 109.6 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.0 70.14 9.95 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.257 1.423 . . . . 0.0 108.115 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -76.2 159.92 30.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.879 1.272 . . . . 0.0 111.223 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -99.2 146.52 26.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.571 1.549 . . . . 0.0 109.964 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.23 153.17 19.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.584 1.154 . . . . 0.0 111.255 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -106.25 98.06 7.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.382 1.873 . . . . 0.0 108.761 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p -124.66 162.54 23.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.499 1.919 . . . . 0.0 110.911 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -132.8 71.83 1.48 Allowed 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -150.1 46.55 0.91 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.305 1.842 . . . . 0.0 108.603 169.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.487 1.515 . . . . 0.0 109.122 -166.439 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.38 -67.86 0.58 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.91 1.284 . . . . 0.0 109.894 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -159.63 112.66 2.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.208 1.403 . . . . 0.0 108.078 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -103.99 172.62 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.571 1.548 . . . . 0.0 111.995 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.18 167.76 21.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.079 2.152 . . . . 0.0 109.903 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -135.47 157.65 46.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.254 1.422 . . . . 0.0 110.053 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -59.66 4.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.23 143.51 52.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.551 0.74 . . . . 0.0 110.057 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 126.713 2.005 . . . . 0.0 111.342 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.535 0.207 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -141.37 -59.31 0.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.939 1.296 . . . . 0.0 109.864 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 63.89 82.15 0.19 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.694 1.598 . . . . 0.0 110.154 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.61 163.85 24.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.289 1.436 . . . . 0.0 110.497 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -149.79 153.82 37.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.31 1.044 . . . . 0.0 109.823 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.12 7.99 1.46 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.531 1.532 . . . . 0.0 114.654 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -63.75 -48.49 76.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.706 1.202 . . . . 0.0 111.339 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm 100.0 119.56 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtt 67.71 135.2 0.03 OUTLIER 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.004 2.121 . . . . 0.0 111.909 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -80.02 83.06 5.98 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.975 1.31 . . . . 0.0 108.042 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 179.41 9.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.803 2.441 . . . . 0.0 110.096 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -74.06 -76.1 0.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.272 . . . . 0.0 111.014 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -79.68 88.99 5.15 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.758 1.223 . . . . 0.0 108.782 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -75.15 -60.23 2.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.585 1.154 . . . . 0.0 110.289 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 m80 73.32 153.66 0.14 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.817 2.047 . . . . 0.0 111.936 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -128.66 132.97 48.1 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.966 1.707 . . . . 0.0 108.591 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 92.29 2.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.713 1.205 . . . . 0.0 108.777 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -118.57 160.67 21.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.383 1.473 . . . . 0.0 111.977 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.16 74.82 0.9 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -164.23 155.11 15.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.342 1.457 . . . . 0.0 109.349 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.541 1.936 . . . . 0.0 113.257 179.607 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -142.87 96.1 2.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.94 1.296 . . . . 0.0 109.414 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -143.05 42.76 1.55 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.7 1.2 . . . . 0.0 111.476 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? 49.5 60.25 3.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.308 1.843 . . . . 0.0 112.127 172.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -104.25 91.72 4.05 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 125.028 1.331 . . . . 0.0 109.127 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -66.05 140.0 58.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.798 0.839 . . . . 0.0 110.064 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -44.48 72.66 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.71 140.22 51.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.395 1.078 . . . . 0.0 109.524 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.394 -1.289 . . . . 0.0 109.34 -172.198 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.56 -79.63 0.09 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.0 1.32 . . . . 0.0 110.072 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -160.07 90.12 0.89 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.85 1.66 . . . . 0.0 107.114 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.52 -61.95 1.65 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.75 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -114.54 145.79 41.52 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.864 1.666 . . . . 0.0 108.555 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.9 6.34 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.97 1.308 . . . . 0.0 114.273 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -56.97 -52.24 66.03 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.196 1.398 . . . . 0.0 109.805 169.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' H ' ' A' ' 76' ' ' MET . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 74.58 136.48 0.06 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.424 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 tmt? 84.98 142.07 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.726 2.81 . . . . 0.0 111.051 -172.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 60.2 0.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.585 2.354 . . . . 0.0 114.932 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -134.76 171.33 14.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.94 1.296 . . . . 0.0 109.556 160.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -67.28 -76.51 0.08 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.664 1.186 . . . . 0.0 110.053 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.13 60.44 5.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.204 1.402 . . . . 0.0 110.369 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 112' ' ' LEU . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -157.36 79.02 0.88 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.856 1.262 . . . . 0.0 108.012 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -123.67 161.71 24.54 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.704 1.602 . . . . 0.0 111.052 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.95 157.25 47.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.542 1.537 . . . . 0.0 110.715 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 63.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.621 1.568 . . . . 0.0 108.89 -174.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p -64.79 154.65 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.323 1.449 . . . . 0.0 110.919 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.67 -36.48 0.95 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 100.39 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.037 0.835 . . . . 0.0 108.767 170.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.401 1.48 . . . . 0.0 109.407 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.225 0 CA-C-O 119.846 -0.419 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.64 78.96 7.65 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.623 1.169 . . . . 0.0 108.672 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -146.72 75.36 1.39 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.076 1.75 . . . . 0.0 106.895 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -155.51 84.79 1.05 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.355 1.462 . . . . 0.0 107.365 -172.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -151.07 87.83 1.42 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.77 1.628 . . . . 0.0 107.42 -173.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p -81.19 164.5 22.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.881 1.273 . . . . 0.0 111.458 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -96.26 -63.69 1.12 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? 74.19 63.25 0.08 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.408 1.883 . . . . 0.0 110.166 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.291 -1.337 . . . . 0.0 109.661 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.1 t0 75.0 -59.23 0.55 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.874 2.07 . . . . 0.0 111.772 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 64.93 68.09 0.52 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.255 1.822 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.58 161.57 24.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.459 1.103 . . . . 0.0 111.079 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 m -60.32 144.93 49.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 110.427 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.31 0.81 4.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.972 1.309 . . . . 0.0 114.304 -176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -56.83 -53.32 59.24 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.696 1.198 . . . . 0.0 111.698 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 99.13 129.49 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt 77.28 119.95 0.05 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.625 1.57 . . . . 0.0 110.978 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 78.54 3.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.611 1.164 . . . . 0.0 110.47 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.29 -175.54 4.38 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.53 1.532 . . . . 0.0 110.447 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -69.22 -62.37 1.41 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.596 0.758 . . . . 0.0 109.557 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.75 65.78 9.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.959 1.304 . . . . 0.0 109.142 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -72.98 -66.63 0.65 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.684 1.194 . . . . 0.0 110.317 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -85.97 161.69 18.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.165 1.386 . . . . 0.0 111.998 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.47 173.57 12.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.626 1.57 . . . . 0.0 111.423 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.76 100.78 4.11 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.583 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -75.3 -176.59 3.16 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.531 1.532 . . . . 0.0 111.619 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -174.84 -67.55 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 tttp 55.97 41.59 29.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.384 2.673 . . . . 0.0 114.339 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.8 mttt . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.589 1.555 . . . . 0.0 108.173 176.935 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 87.41 2.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.634 1.173 . . . . 0.0 109.199 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 t60 56.02 28.74 13.23 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.322 1.449 . . . . 0.0 112.242 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mptt 61.2 166.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.079 1.752 . . . . 0.0 112.772 -173.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 117.23 28.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.265 1.826 . . . . 0.0 107.434 170.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -125.2 167.79 14.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.662 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.99 -45.99 92.55 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -64.93 137.29 57.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.177 0.991 . . . . 0.0 110.062 166.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.431 -1.271 . . . . 0.0 108.299 171.485 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.73 0.3 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.33 -77.69 0.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.474 1.109 . . . . 0.0 109.271 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 164.56 25.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.383 1.073 . . . . 0.0 111.764 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.94 152.91 50.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.871 1.669 . . . . 0.0 110.391 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -73.31 146.45 45.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.881 1.673 . . . . 0.0 110.936 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.22 -11.16 19.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.769 1.627 . . . . 0.0 115.094 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -51.25 -50.23 59.6 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.359 1.464 . . . . 0.0 111.309 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 108.67 121.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mtt 61.26 143.43 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.221 2.608 . . . . 0.0 113.281 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -78.98 87.3 4.8 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.617 1.167 . . . . 0.0 109.04 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -142.72 -174.85 4.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.9 p -70.91 -70.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.137 0.975 . . . . 0.0 109.72 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.94 61.02 6.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.53 1.532 . . . . 0.0 109.642 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -153.93 104.73 2.69 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.416 1.486 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -87.85 122.84 31.97 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.167 1.387 . . . . 0.0 109.732 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.97 152.18 23.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.827 1.251 . . . . 0.0 109.3 172.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -80.27 105.96 11.93 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.434 1.094 . . . . 0.0 109.518 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p -130.68 172.89 11.46 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.661 1.584 . . . . 0.0 111.004 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.78 -44.9 96.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -62.59 164.68 7.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.948 1.299 . . . . 0.0 111.446 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.225 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -149.15 -56.76 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.52 1.528 . . . . 0.0 109.353 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -158.51 141.77 14.94 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.658 1.583 . . . . 0.0 109.22 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -150.02 152.91 35.63 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.614 1.166 . . . . 0.0 111.104 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -97.53 128.83 44.59 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.303 1.441 . . . . 0.0 109.422 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p -97.65 150.27 21.35 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.991 1.316 . . . . 0.0 108.78 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -50.76 -49.72 57.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -73.19 101.82 3.45 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.228 1.011 . . . . 0.0 110.085 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.224 1.81 . . . . 0.0 108.097 173.671 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.34 162.27 28.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.75 1.22 . . . . 0.0 111.353 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -130.37 114.79 16.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.753 1.621 . . . . 0.0 108.825 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.89 -54.45 10.02 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.915 1.286 . . . . 0.0 111.597 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m -128.69 147.3 50.74 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.778 1.231 . . . . 0.0 110.168 -166.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.85 -29.38 55.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.155 1.782 . . . . 0.0 112.636 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -36.55 -49.09 0.73 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.124 2.57 . . . . 0.0 113.388 173.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? 102.45 120.97 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mtt 68.12 129.03 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 128.203 2.601 . . . . 0.0 113.456 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -72.13 86.09 1.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.572 2.349 . . . . 0.0 108.122 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -153.14 -173.33 4.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.175 0.99 . . . . 0.0 110.938 -165.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.5 p -73.92 -82.06 0.06 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.37 1.868 . . . . 0.0 109.387 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.8 65.81 8.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.207 1.003 . . . . 0.0 109.11 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.74 154.27 44.4 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.602 1.561 . . . . 0.0 110.179 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -160.06 122.55 3.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.66 1.184 . . . . 0.0 109.629 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -139.31 111.82 7.68 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.348 1.859 . . . . 0.0 107.65 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -79.87 84.45 5.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.673 1.189 . . . . 0.0 108.21 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p -125.43 161.31 27.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.928 1.691 . . . . 0.0 110.962 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -129.5 72.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -153.01 110.34 3.52 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.395 1.478 . . . . 0.0 108.321 173.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.305 1.442 . . . . 0.0 109.04 179.63 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -94.46 81.14 3.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.271 1.429 . . . . 0.0 110.375 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -82.0 169.49 16.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 111.529 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.03 45.36 2.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.93 1.692 . . . . 0.0 110.439 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -142.19 126.47 17.58 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.258 1.823 . . . . 0.0 108.61 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p -96.74 151.91 19.18 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.482 1.113 . . . . 0.0 110.905 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -51.04 -50.01 59.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.08 142.11 47.58 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.139 0.975 . . . . 0.0 109.963 168.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 C-N-CA 125.602 1.561 . . . . 0.0 109.968 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.355 1.462 . . . . 0.0 111.277 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -62.38 139.56 58.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.238 1.415 . . . . 0.0 111.368 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.23 160.44 41.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.963 1.705 . . . . 0.0 110.08 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -107.68 141.04 39.8 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.562 1.145 . . . . 0.0 110.083 -170.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.59 -24.85 64.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.23 1.812 . . . . 0.0 113.5 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -44.48 -42.02 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.706 2.003 . . . . 0.0 112.633 173.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' C' ' 15' ' ' ILE . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 32' ' ' LEU . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG13 ' H ' ' A' ' 76' ' ' MET . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 47.6 p30 -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? 82.08 127.82 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.444 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 96.88 146.96 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.681 3.193 . . . . 0.0 111.343 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -75.42 65.56 1.71 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.892 2.077 . . . . 0.0 113.325 -166.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -148.43 161.91 40.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.628 1.971 . . . . 0.0 109.353 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.0 p -62.39 -69.86 0.23 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.975 1.31 . . . . 0.0 111.053 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.44 60.39 5.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.243 1.417 . . . . 0.0 109.443 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.239 0 N-CA-C 112.894 -0.082 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -65.74 116.42 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.684 1.193 . . . . 0.0 110.358 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -150.93 158.68 44.45 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.681 1.192 . . . . 0.0 111.316 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -125.92 163.19 23.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.021 2.128 . . . . 0.0 111.091 -169.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 56.55 64.8 1.57 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 110.386 -174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p -97.83 160.72 14.13 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.538 1.535 . . . . 0.0 111.283 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -49.39 -51.88 32.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.34 129.06 38.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.971 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.415 -1.278 . . . . 0.0 108.019 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.076 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -152.23 139.51 19.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.72 1.208 . . . . 0.0 109.702 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -161.92 -57.44 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.608 1.563 . . . . 0.0 108.436 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -100.41 -178.45 3.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.984 . . . . 0.0 111.409 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt 60.67 57.68 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.065 1.746 . . . . 0.0 110.228 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p -80.8 159.71 25.05 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.486 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ILE . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' LEU . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -52.91 -51.05 62.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -64.37 111.01 2.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.195 1.398 . . . . 0.0 109.863 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.844 1.257 . . . . 0.0 108.757 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -83.94 -62.76 1.49 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.693 1.197 . . . . 0.0 110.582 -176.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -144.05 103.32 4.0 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.684 1.194 . . . . 0.0 108.072 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.03 126.33 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.217 1.407 . . . . 0.0 109.629 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -115.19 146.15 41.69 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 110.197 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.66 -15.63 62.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.008 1.723 . . . . 0.0 113.54 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -53.82 -46.28 71.09 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.537 1.535 . . . . 0.0 112.361 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 79.08 143.27 0.08 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 tmm? 76.02 148.15 0.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.091 2.556 . . . . 0.0 112.269 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -63.18 80.14 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.3 2.24 . . . . 0.0 111.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -160.04 160.37 33.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.559 1.944 . . . . 0.0 109.776 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.0 p -65.64 -94.89 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.564 1.946 . . . . 0.0 111.64 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.13 66.16 9.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.378 1.471 . . . . 0.0 110.558 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -91.79 54.09 2.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.67 1.188 . . . . 0.0 110.442 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.41 -45.02 14.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.353 1.461 . . . . 0.0 110.743 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -70.66 153.25 43.02 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.033 1.333 . . . . 0.0 111.417 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -153.2 81.59 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 109.4 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p -85.06 176.88 8.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.786 1.235 . . . . 0.0 112.347 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.94 -17.67 52.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -80.99 154.52 26.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.449 1.1 . . . . 0.0 110.496 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.223 -1.37 . . . . 0.0 109.862 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -87.19 97.08 10.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.192 1.397 . . . . 0.0 109.609 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.07 -56.06 0.08 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.032 1.333 . . . . 0.0 110.609 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -114.47 148.49 37.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.266 1.826 . . . . 0.0 109.762 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm 54.17 65.12 1.6 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.745 1.618 . . . . 0.0 110.203 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p -113.06 152.95 28.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.416 1.886 . . . . 0.0 109.761 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -42.12 -47.21 4.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -73.73 125.18 27.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.2 1.4 . . . . 0.0 109.526 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 pttt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.757 -177.745 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -160.34 162.73 33.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.444 1.498 . . . . 0.0 110.636 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 60.37 71.13 0.58 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.84 1.656 . . . . 0.0 110.917 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.46 82.92 3.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.269 1.428 . . . . 0.0 109.231 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -141.99 133.34 26.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.001 1.32 . . . . 0.0 109.407 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.47 -12.62 61.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.02 1.328 . . . . 0.0 114.361 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -50.78 -44.04 58.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 0.0 112.304 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp 96.25 112.63 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ttm 75.4 128.72 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 111.33 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -75.75 85.76 2.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 111.315 -170.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -141.13 -167.82 2.48 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.002 1.321 . . . . 0.0 109.905 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.9 p -78.12 -74.09 0.28 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.797 0.839 . . . . 0.0 110.1 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -85.37 56.7 4.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.944 1.298 . . . . 0.0 109.931 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.421 ' HB3' ' CH2' ' B' ' 18' ' ' TRP . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.999 -0.44 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -89.42 111.47 22.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.34 1.456 . . . . 0.0 108.985 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -131.58 160.14 36.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.455 1.502 . . . . 0.0 110.814 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -154.58 162.51 41.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.957 1.303 . . . . 0.0 110.968 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 136.22 47.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.798 1.239 . . . . 0.0 111.578 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -143.84 -170.65 3.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.82 1.648 . . . . 0.0 110.26 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.9 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 124' ' ' MET . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -153.85 89.16 1.29 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -101.47 56.05 0.83 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.769 1.228 . . . . 0.0 109.438 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 110.235 -172.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -81.15 69.65 7.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.896 1.278 . . . . 0.0 110.098 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -97.27 100.88 12.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.414 1.485 . . . . 0.0 108.832 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.86 113.88 23.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.71 1.604 . . . . 0.0 108.749 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -141.43 107.46 5.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.658 1.583 . . . . 0.0 107.826 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p -79.88 151.65 30.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.583 0.753 . . . . 0.0 110.647 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -52.64 50.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.43 127.06 30.28 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.588 0.755 . . . . 0.0 109.47 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.971 1.308 . . . . 0.0 108.122 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.27 146.12 19.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.617 1.567 . . . . 0.0 109.66 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.67 138.16 39.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 109.267 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.83 -50.75 26.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.261 1.424 . . . . 0.0 111.705 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -143.15 165.21 28.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.415 1.486 . . . . 0.0 111.027 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.59 -19.3 65.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.183 1.793 . . . . 0.0 113.295 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.14 -45.42 61.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.206 1.402 . . . . 0.0 112.333 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 80.29 146.12 0.09 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.2 tmm? 82.77 139.67 0.06 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.37 2.668 . . . . 0.0 110.281 -167.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.5 96.07 0.36 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 111.812 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -164.93 171.4 14.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.695 1.598 . . . . 0.0 109.841 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.5 p -76.85 -64.55 1.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.117 0.967 . . . . 0.0 109.395 172.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.02 58.46 5.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.7 1.6 . . . . 0.0 109.931 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.053 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.13 -90.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.787 1.235 . . . . 0.0 108.932 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.81 97.88 6.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.136 1.374 . . . . 0.0 109.32 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -145.05 -167.72 2.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.394 1.478 . . . . 0.0 109.888 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 80.59 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.003 1.321 . . . . 0.0 111.67 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -109.79 173.66 6.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.657 1.983 . . . . 0.0 110.381 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.464 ' C ' HD23 ' B' ' 12' ' ' LEU . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 77.13 1.33 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -164.96 83.74 0.38 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.862 1.265 . . . . 0.0 109.266 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.46 -1.257 . . . . 0.0 108.664 172.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -60.41 -55.22 36.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.058 1.343 . . . . 0.0 111.304 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.32 116.4 13.83 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.443 1.097 . . . . 0.0 109.088 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.5 104.44 2.33 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.755 1.622 . . . . 0.0 109.036 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -113.2 94.07 4.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.511 1.124 . . . . 0.0 110.264 -165.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -74.38 162.66 28.64 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.61 1.564 . . . . 0.0 112.648 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -57.87 -43.33 85.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.18 129.98 42.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.535 0.734 . . . . 0.0 109.777 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.377 -162.179 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 53.2 69.2 0.73 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.249 1.819 . . . . 0.0 110.817 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.81 132.25 28.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.003 1.721 . . . . 0.0 109.849 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.59 -36.28 38.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.273 1.429 . . . . 0.0 111.505 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -60.05 160.1 8.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.437 1.495 . . . . 0.0 112.945 -174.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.82 -6.87 44.75 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.755 1.622 . . . . 0.0 114.46 -171.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.9 -43.88 86.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.486 1.115 . . . . 0.0 112.075 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 p30 -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 79.71 132.46 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 79.51 143.34 0.08 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.937 1.695 . . . . 0.0 110.564 -178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -67.91 74.67 0.2 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.935 2.094 . . . . 0.0 110.954 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -146.82 148.19 31.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.586 1.554 . . . . 0.0 108.874 171.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -54.11 -67.47 0.26 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.489 1.516 . . . . 0.0 111.895 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -98.48 120.48 38.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.389 1.475 . . . . 0.0 107.477 172.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -148.42 132.93 17.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.225 1.41 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -84.82 67.87 10.26 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.701 1.2 . . . . 0.0 110.667 -168.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -129.59 140.42 51.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.201 1.8 . . . . 0.0 107.904 170.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 78.94 9.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.285 -172.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -106.08 -176.76 3.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.6 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -169.67 -48.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -81.61 70.92 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.06 1.744 . . . . 0.0 108.275 174.529 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -74.49 109.19 7.77 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.751 1.22 . . . . 0.0 110.084 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -146.9 -178.86 6.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.904 1.682 . . . . 0.0 110.404 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tttp 70.28 -161.83 0.16 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.436 1.495 . . . . 0.0 110.364 -172.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.46 120.14 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.175 1.79 . . . . 0.0 107.814 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -75.79 146.02 40.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 110.37 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.71 -84.06 0.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.08 107.74 1.62 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.15 1.78 . . . . 0.0 110.764 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.467 -1.254 . . . . 0.0 109.835 176.835 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.808 -0.071 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.32 85.87 1.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.284 1.433 . . . . 0.0 110.336 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -158.65 156.94 30.91 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 110.818 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.02 147.21 8.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.215 1.806 . . . . 0.0 109.563 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -125.41 166.99 15.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.213 1.405 . . . . 0.0 111.396 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -77.63 -3.5 41.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.937 1.695 . . . . 0.0 113.169 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.19 -43.72 82.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 110.646 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 75.03 135.54 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 tpt 103.04 150.15 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.881 3.272 . . . . 0.0 110.463 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -75.38 71.36 2.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.891 1.276 . . . . 0.0 112.26 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -141.86 -176.98 4.98 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.534 1.134 . . . . 0.0 110.659 175.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -78.8 -74.15 0.29 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.641 1.176 . . . . 0.0 108.591 170.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -86.15 61.41 6.82 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.177 1.791 . . . . 0.0 108.779 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -150.1 85.27 1.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.483 1.513 . . . . 0.0 107.969 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -59.85 126.81 29.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.827 1.251 . . . . 0.0 109.833 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -153.19 82.1 1.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.309 1.044 . . . . 0.0 108.76 -175.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -136.31 79.32 1.76 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.606 1.562 . . . . 0.0 108.692 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -70.92 145.83 49.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.408 1.083 . . . . 0.0 111.252 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -118.19 83.93 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -162.25 90.34 0.74 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 167.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 pttt . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.818 1.647 . . . . 0.0 111.655 -170.784 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 120.946 0.192 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -103.3 -59.95 1.63 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.536 1.534 . . . . 0.0 110.08 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.72 174.1 15.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.823 1.649 . . . . 0.0 110.377 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -146.04 128.54 16.01 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 108.978 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.44 120.62 24.68 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.595 1.558 . . . . 0.0 110.359 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -90.03 148.01 23.32 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.094 1.357 . . . . 0.0 110.368 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.96 -49.39 75.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 151.75 46.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.817 0.847 . . . . 0.0 110.407 173.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 tptt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.676 1.99 . . . . 0.0 110.751 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.11 101.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.671 1.988 . . . . 0.0 111.233 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -72.55 157.61 37.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.017 1.327 . . . . 0.0 111.132 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.89 -46.91 86.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.899 1.279 . . . . 0.0 111.264 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -128.71 153.8 46.97 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.019 1.728 . . . . 0.0 111.062 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -80.65 -3.46 50.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.303 1.441 . . . . 0.0 112.561 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.57 -39.79 81.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.326 1.051 . . . . 0.0 111.071 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm 85.6 113.96 0.05 OUTLIER 'General case' 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.6 ttm 71.16 135.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.794 2.038 . . . . 0.0 111.352 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.05 87.78 6.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.024 0.93 . . . . 0.0 110.291 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -138.62 -171.98 3.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.342 2.257 . . . . 0.0 109.046 168.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.8 p -76.59 -71.62 0.38 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.556 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.46 60.3 5.95 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.476 1.51 . . . . 0.0 109.735 -175.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -156.8 134.7 11.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.838 1.255 . . . . 0.0 109.765 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -122.29 37.91 4.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.561 1.544 . . . . 0.0 110.321 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -91.24 74.27 6.19 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.306 1.442 . . . . 0.0 108.194 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 67.88 155.59 0.11 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.391 2.276 . . . . 0.0 112.207 -176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -112.11 141.71 45.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.281 1.432 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -43.19 -49.77 6.45 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -81.17 75.79 8.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.064 1.346 . . . . 0.0 108.792 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.432 1.893 . . . . 0.0 112.417 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -70.28 -64.85 0.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.877 1.271 . . . . 0.0 110.159 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -126.89 106.43 9.31 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.014 1.726 . . . . 0.0 108.485 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 114.69 16.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.911 1.284 . . . . 0.0 108.066 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.87 126.76 30.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.688 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -119.23 156.24 30.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.968 1.307 . . . . 0.0 111.98 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -54.85 -57.48 11.44 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -71.19 132.22 44.68 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 124.981 1.312 . . . . 0.0 108.912 -177.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.79 146.41 3.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.556 1.542 . . . . 0.0 109.366 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.88 145.18 30.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.797 1.239 . . . . 0.0 110.372 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.9 mt 68.01 149.4 0.06 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.392 2.277 . . . . 0.0 112.712 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -78.78 151.81 31.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.968 1.307 . . . . 0.0 111.781 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.13 -17.22 60.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.825 1.65 . . . . 0.0 112.781 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -50.61 -44.41 57.11 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.95 1.3 . . . . 0.0 111.496 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? 78.35 132.0 0.05 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 tpt 81.13 99.97 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.949 2.9 . . . . 0.0 111.753 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.6 tttt 77.1 119.89 0.05 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.202 2.201 . . . . 0.0 110.978 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.76 43.48 0.58 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.303 1.441 . . . . 0.0 113.382 -174.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.4 p -142.48 -85.66 0.16 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.284 1.833 . . . . 0.0 107.667 168.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -93.21 109.21 20.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.447 1.499 . . . . 0.0 107.608 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -152.34 158.08 42.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 110.891 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -89.67 107.41 19.07 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.273 1.429 . . . . 0.0 109.648 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.93 142.48 43.98 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.702 1.201 . . . . 0.0 108.912 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -80.42 84.33 6.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.597 1.159 . . . . 0.0 109.43 -173.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p -116.47 173.77 6.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.601 1.96 . . . . 0.0 110.572 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -38.7 68.76 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -79.87 77.97 6.5 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 166.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.489 1.516 . . . . 0.0 109.902 -179.636 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 N-CA-C 113.23 0.052 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -159.86 148.43 17.37 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.795 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -145.96 -53.12 0.26 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.707 1.603 . . . . 0.0 109.909 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -73.25 120.78 19.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 110.631 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 127.8 32.49 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.198 1.399 . . . . 0.0 110.139 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -89.69 142.02 28.07 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.925 0.89 . . . . 0.0 109.81 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -51.53 -48.87 62.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.57 144.96 56.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.505 1.122 . . . . 0.0 110.253 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.484 -1.246 . . . . 0.0 109.958 178.552 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.06 -51.31 1.32 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.174 1.79 . . . . 0.0 108.855 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -85.53 173.39 10.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.903 1.681 . . . . 0.0 111.42 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 mt 70.13 111.19 0.05 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.231 2.212 . . . . 0.0 111.724 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -61.99 160.23 12.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.667 1.587 . . . . 0.0 112.774 -177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.79 6.09 5.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.759 1.623 . . . . 0.0 114.152 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.8 -50.65 40.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 109.917 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt 75.38 139.84 0.06 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.08 111.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.948 2.899 . . . . 0.0 111.871 -175.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 tttp 74.01 162.67 0.26 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.214 1.805 . . . . 0.0 110.447 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.33 35.35 4.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.503 1.121 . . . . 0.0 111.355 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 p -142.93 -102.41 0.13 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.544 1.538 . . . . 0.0 108.329 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.64 113.6 10.94 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -69.34 166.5 18.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.298 1.439 . . . . 0.0 112.006 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -132.05 158.29 41.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.268 1.427 . . . . 0.0 111.533 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.32 133.83 35.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.009 1.724 . . . . 0.0 109.703 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 61.14 0.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.57 1.548 . . . . 0.0 108.846 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -64.91 145.96 55.59 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 124.563 1.145 . . . . 0.0 110.708 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -99.32 56.73 1.02 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.48 142.4 32.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.916 2.087 . . . . 0.0 108.218 167.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.582 1.553 . . . . 0.0 110.872 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.95 167.0 23.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.564 1.546 . . . . 0.0 110.34 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -82.21 30.14 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.002 1.321 . . . . 0.0 112.834 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -161.27 133.9 6.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.858 0.863 . . . . 0.0 109.757 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -115.05 120.08 38.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.908 1.683 . . . . 0.0 108.246 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p -128.68 167.31 17.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.064 1.346 . . . . 0.0 111.665 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 56.04 1.5 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -86.96 159.58 18.96 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.142 1.377 . . . . 0.0 110.66 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 tptt . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.747 1.219 . . . . 0.0 109.981 -175.413 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG3' HG11 ' A' ' 55' ' ' VAL . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 CA--C 1.531 0.231 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 100' ' ' ILE . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p . . . . . 0 CA--C 1.543 0.691 0 CA-C-O 121.232 0.539 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 CA--C 1.537 0.469 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 120.517 0.199 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p . . . . . 0 CA--C 1.536 0.428 0 CA-C-O 120.938 0.399 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 110.763 -0.088 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? . . . . . 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt . . . . . 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 121.334 0.587 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp . . . . . 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 119.344 -0.36 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 CA--C 1.541 0.598 0 CA-C-O 120.831 0.348 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.846 0.355 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 CA--C 1.538 0.507 0 CA-C-O 121.468 0.651 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt . . . . . 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 . . . . . 0 CA--C 1.541 0.6 0 CA-C-O 121.588 0.708 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB3' HE22 ' C' ' 11' ' ' GLN . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.409 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 CA--C 1.541 0.632 0 CA-C-O 120.705 0.288 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . 0.424 HE22 ' HB3' ' A' ' 147' ' ' ALA . 1.9 mp0 -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm . . . . . 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 119.494 -0.288 . . . . 0.0 110.75 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt . . . . . 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p . . . . . 0 CA--C 1.539 0.525 0 CA-C-O 120.678 0.275 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp . . . . . 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 CA--C 1.537 0.474 0 CA-C-O 119.702 -0.189 . . . . 0.0 111.339 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm . . . . . 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp . . . . . 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p . . . . . 0 CA--C 1.538 0.494 0 CA-C-O 120.842 0.353 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 112' ' ' LEU . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 119.837 -0.125 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p . . . . . 0 CA--C 1.538 0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp . . . . . 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 CA--C 1.535 0.38 0 CA-C-O 118.833 -0.603 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt . . . . . 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 . . . . . 0 CA--C 1.537 0.454 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p . . . . . 0 CA--C 1.545 0.757 0 CA-C-O 121.366 0.603 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.3 0.571 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? . . . . . 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 111.309 0.114 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp . . . . . 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p . . . . . 0 CA--C 1.538 0.512 0 CA-C-O 120.828 0.347 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm . . . . . 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 113.388 0.885 . . . . 0.0 113.388 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.742 0.782 . . . . 0.0 109.11 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 120.88 0.371 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p . . . . . 0 CA--C 1.537 0.444 0 CA-C-O 121.169 0.509 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' C' ' 15' ' ' ILE . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 32' ' ' LEU . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.717 0.294 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt . . . . . 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.913 0.387 . . . . 0.0 111.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' LEU . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 CA--C 1.539 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 . . . . . 0 CA--C 1.536 0.417 0 CA-C-O 121.523 0.678 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 121.194 0.521 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt . . . . . 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 CA--C 1.538 0.482 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt . . . . . 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp . . . . . 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 120.978 0.418 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.421 ' HB3' ' CH2' ' B' ' 18' ' ' TRP . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.19 0.519 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 124' ' ' MET . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p . . . . . 0 CA--C 1.536 0.433 0 CA-C-O 121.073 0.463 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 . . . . . 0 CA--C 1.539 0.52 0 CA-C-O 120.933 0.397 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 121.237 0.541 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.464 ' C ' HD23 ' B' ' 12' ' ' LEU . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 CA--C 1.532 0.259 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 121.201 0.524 . . . . 0.0 111.6 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp . . . . . 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p . . . . . 0 CA--C 1.537 0.479 0 CA-C-O 120.956 0.408 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 119.719 -0.181 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? . . . . . 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 120.342 0.115 . . . . 0.0 111.252 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp . . . . . 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p . . . . . 0 CA--C 1.537 0.45 0 CA-C-O 120.688 0.28 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm . . . . . 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 . . . . . 0 CA--C 1.54 0.589 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm . . . . . 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 CA--C 1.537 0.48 0 CA-C-O 121.76 0.791 . . . . 0.0 109.735 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp . . . . . 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.487 0.661 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.539 0.552 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? . . . . . 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 CA--C 1.538 0.516 0 CA-C-O 120.858 0.361 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp . . . . . 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt . . . . . 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 . . . . . 0 CA--C 1.533 0.307 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 120.681 0.277 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.191 0.52 . . . . 0.0 111.665 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 110.721 -0.103 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -138.25 28.63 2.52 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.626 1.17 . . . . 0.0 111.647 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -166.14 132.53 2.55 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 125.337 1.455 . . . . 0.0 109.399 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 pp -98.23 154.78 17.54 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.789 1.636 . . . . 0.0 110.541 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -143.65 148.89 36.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.114 1.366 . . . . 0.0 109.086 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.81 -2.63 7.54 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -174.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.18 -44.52 67.95 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.153 1.381 . . . . 0.0 111.987 174.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -56.55 -48.8 76.53 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.546 1.138 . . . . 0.0 111.612 175.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 54.4 mt -58.76 -55.52 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 125.924 1.69 . . . . 0.0 109.894 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.01 -42.04 72.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.25 1.42 . . . . 0.0 112.389 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.22 -55.79 28.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.217 1.007 . . . . 0.0 111.02 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -57.14 -41.52 79.28 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.352 1.461 . . . . 0.0 112.219 176.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -55.57 -50.79 69.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.096 1.359 . . . . 0.0 110.707 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.71 -47.78 71.3 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.789 1.236 . . . . 0.0 111.38 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.82 -40.42 66.37 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.403 1.081 . . . . 0.0 112.686 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -64.22 -54.75 28.64 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.234 1.013 . . . . 0.0 110.934 171.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.6 t -54.37 -34.02 60.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.157 1.383 . . . . 0.0 113.074 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.71 -54.72 20.88 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.637 1.575 . . . . 0.0 111.487 175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -71.11 -44.94 64.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.74 1.216 . . . . 0.0 111.741 177.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.74 74.06 7.69 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.516 0.726 . . . . 0.0 109.814 177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -69.87 -33.02 71.69 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.401 1.081 . . . . 0.0 111.087 172.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -52.56 -43.79 65.45 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.831 1.652 . . . . 0.0 112.338 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.59 4.28 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 124.388 0.994 . . . . 0.0 112.669 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -52.53 -34.91 52.04 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.112 1.365 . . . . 0.0 114.103 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.65 52.41 1.83 Allowed Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.612 1.101 . . . . 0.0 112.345 175.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.8 p -144.62 139.09 27.84 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.663 1.585 . . . . 0.0 110.096 170.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.2 mm -108.0 81.48 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 125.245 1.418 . . . . 0.0 107.983 172.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -86.25 171.08 11.53 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.805 1.642 . . . . 0.0 111.177 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.9 p -60.3 -34.48 73.84 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.021 0.928 . . . . 0.0 112.562 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -44.91 95.49 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.454 1.102 . . . . 0.0 110.409 171.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.1 -50.36 73.01 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.273 1.429 . . . . 0.0 110.214 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -48.47 75.04 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.034 1.734 . . . . 0.0 111.074 174.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.72 -53.1 48.98 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.229 1.395 . . . . 0.0 112.686 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 79.3 m -55.56 -44.17 76.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.422 1.489 . . . . 0.0 112.05 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -57.6 -55.31 22.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 C-N-CA 124.486 1.114 . . . . 0.0 111.093 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 mmt -57.91 -40.5 80.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.32 1.048 . . . . 0.0 112.216 175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -60.65 -52.55 64.67 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.662 1.585 . . . . 0.0 111.546 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 67.7 m -51.05 -52.1 46.59 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.414 1.485 . . . . 0.0 111.366 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 90.7 mt -55.69 -68.3 0.21 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.286 1.434 . . . . 0.0 110.648 175.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.81 54.1 0.01 OUTLIER Glycine 0 CA--C 1.532 1.115 0 CA-C-O 119.578 -0.568 . . . . 0.0 112.825 172.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -146.78 149.11 32.7 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.522 1.529 . . . . 0.0 109.016 171.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.1 91.12 49.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.739 1.216 . . . . 0.0 108.943 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -57.63 165.18 6.48 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.401 3.401 . . . . 0.0 114.695 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.5 p -99.52 117.28 33.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.495 1.518 . . . . 0.0 108.102 170.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -54.47 -36.48 64.16 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.029 1.732 . . . . 0.0 114.77 -169.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.95 -48.32 67.44 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.164 1.385 . . . . 0.0 111.806 176.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -66.53 -42.18 87.63 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.737 1.215 . . . . 0.0 111.426 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.8 mt -55.31 -34.02 63.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.963 0.905 . . . . 0.0 112.494 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -68.1 -61.06 2.03 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.475 0.71 . . . . 0.0 110.004 175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -46.51 -61.77 1.67 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.299 1.84 . . . . 0.0 112.811 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -49.01 -33.12 10.46 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.837 1.655 . . . . 0.0 114.305 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 85.8 mt -78.67 -53.55 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 125.859 1.664 . . . . 0.0 110.026 172.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -63.76 -26.34 68.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.951 1.7 . . . . 0.0 115.032 -166.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.15 -50.92 27.12 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 119.563 1.074 . . . . 0.0 111.186 169.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.428 HG11 ' HG3' ' A' ' 71' ' ' MET . 89.3 t -84.73 -45.86 17.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.874 1.27 . . . . 0.0 112.195 -175.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -48.83 118.25 2.48 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.171 1.388 . . . . 0.0 112.05 -169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.12 -50.32 74.5 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.462 1.505 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -64.15 -40.22 95.68 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.594 1.158 . . . . 0.0 111.533 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.93 38.81 94.55 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.266 0.936 . . . . 0.0 111.296 -166.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.62 -26.27 14.13 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.885 1.674 . . . . 0.0 113.675 -175.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.83 -37.34 3.5 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.559 1.076 . . . . 0.0 112.922 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 41.3 p -83.49 104.46 13.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.366 1.466 . . . . 0.0 108.959 177.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.1 mm -100.42 93.76 3.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.245 1.418 . . . . 0.0 109.163 -171.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.56 175.77 0.99 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.441 1.496 . . . . 0.0 112.295 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -39.87 -67.57 0.28 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 125.781 1.632 . . . . 0.0 112.944 171.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -61.62 -40.27 47.94 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 123.68 2.92 . . . . 0.0 112.763 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -67.47 -29.71 69.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.98 0.912 . . . . 0.0 112.497 178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -73.08 -51.45 18.01 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.377 1.071 . . . . 0.0 109.87 173.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.76 -24.5 66.87 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.718 0.807 . . . . 0.0 112.23 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.6 m -62.83 -60.51 3.38 Favored 'General case' 0 C--N 1.347 0.459 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 165.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.428 ' HG3' HG11 ' A' ' 55' ' ' VAL . 19.7 ttt -49.96 -38.11 35.24 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.874 1.27 . . . . 0.0 113.026 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.4 mmt -69.34 -64.14 0.93 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.162 1.385 . . . . 0.0 111.415 175.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.97 -67.39 0.85 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.664 1.186 . . . . 0.0 112.537 -168.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -65.58 -65.66 0.65 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.29 1.436 . . . . 0.0 111.102 -173.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 74.45 152.5 0.13 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.903 1.681 . . . . 0.0 112.663 171.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 11.6 tpt 73.74 153.7 0.14 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.436 2.295 . . . . 0.0 111.166 -170.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -74.5 56.59 0.68 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.703 1.601 . . . . 0.0 111.856 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -133.65 171.45 14.1 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.641 1.976 . . . . 0.0 109.196 172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.3 p -78.13 -87.44 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.339 1.055 . . . . 0.0 110.895 -172.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -90.19 69.5 7.18 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 125.029 1.331 . . . . 0.0 108.591 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -91.8 18.14 8.1 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -161.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -63.57 -38.17 90.1 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.592 164.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -61.27 -43.75 98.37 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.869 1.268 . . . . 0.0 111.852 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -62.0 -33.4 74.26 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.691 0.797 . . . . 0.0 111.957 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -68.78 -49.41 64.34 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.961 1.304 . . . . 0.0 110.57 170.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -54.67 -34.87 62.9 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.023 0.929 . . . . 0.0 112.121 174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -73.74 -46.25 47.06 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.234 1.414 . . . . 0.0 110.92 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.87 -42.54 65.36 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.274 1.03 . . . . 0.0 112.273 174.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 -56.13 -44.75 79.49 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.956 1.302 . . . . 0.0 111.187 173.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -71.21 -30.25 66.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.189 0.996 . . . . 0.0 112.983 -177.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.78 -53.8 34.5 Favored 'Isoleucine or valine' 0 C--N 1.347 0.462 0 C-N-CA 123.804 0.842 . . . . 0.0 109.277 172.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -58.04 -48.09 81.15 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.138 1.375 . . . . 0.0 111.89 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.83 168.25 19.81 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.75 1.22 . . . . 0.0 111.315 176.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.3 mmmm -123.27 43.25 3.0 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.572 1.549 . . . . 0.0 108.483 169.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.07 -64.55 0.02 OUTLIER 'General case' 0 C--N 1.347 0.493 0 C-N-CA 127.424 2.29 . . . . 0.0 109.285 -178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.63 87.88 0.39 Allowed Glycine 0 C--N 1.343 0.963 0 C-N-CA 124.67 1.129 . . . . 0.0 110.676 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -128.15 44.37 2.96 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.237 1.415 . . . . 0.0 111.032 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.58 48.26 71.97 Favored Glycine 0 CA--C 1.535 1.324 0 C-N-CA 124.824 1.202 . . . . 0.0 112.149 -176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -167.68 166.54 13.82 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.698 1.999 . . . . 0.0 109.853 -171.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 100' ' ' ILE . 29.1 mt -143.84 111.54 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 C-N-CA 125.301 1.441 . . . . 0.0 107.539 170.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.7 t -78.88 155.45 29.08 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.008 0.923 . . . . 0.0 111.72 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.32 89.05 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.338 1.455 . . . . 0.0 112.655 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.6 81.05 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.456 1.102 . . . . 0.0 111.476 175.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -57.31 -40.47 77.95 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.106 1.363 . . . . 0.0 111.913 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.9 mt -60.11 -49.43 77.67 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.891 0.876 . . . . 0.0 111.418 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -58.21 -44.84 88.34 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.274 0.629 . . . . 0.0 111.85 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -56.86 -63.95 1.03 Allowed 'General case' 0 C--N 1.346 0.431 0 C-N-CA 124.906 1.282 . . . . 0.0 111.257 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -59.98 -34.2 55.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.464 0.706 . . . . 0.0 112.699 -173.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 96.2 mtp -67.69 -63.74 1.0 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.451 1.1 . . . . 0.0 110.279 174.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.2 m -56.12 -26.29 49.37 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.793 1.237 . . . . 0.0 113.367 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -50.71 -40.93 55.5 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.499 1.52 . . . . 0.0 112.114 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.53 -61.77 2.2 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.733 1.213 . . . . 0.0 109.258 173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.66 77.09 0.02 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.252 -1.139 . . . . 0.0 110.252 177.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.62 83.16 0.96 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.742 0.817 . . . . 0.0 111.115 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.1 88.69 0.42 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.704 1.602 . . . . 0.0 109.494 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.4 mt -129.33 149.91 50.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.422 1.489 . . . . 0.0 109.668 174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 9.7 t -68.11 149.27 49.83 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.47 1.508 . . . . 0.0 111.811 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -71.71 -35.36 70.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.716 1.207 . . . . 0.0 111.938 -174.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -51.8 -34.67 41.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.053 1.341 . . . . 0.0 113.897 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -61.81 -42.21 98.74 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.818 1.247 . . . . 0.0 111.619 174.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 37.0 t -61.01 -50.79 79.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.414 0.685 . . . . 0.0 110.372 169.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -59.25 -40.91 87.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.979 1.311 . . . . 0.0 112.69 -174.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -47.08 -53.81 11.87 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.276 1.03 . . . . 0.0 111.083 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -86.0 19.59 2.55 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 60.3 mt -101.45 -62.45 2.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.414 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 160.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -77.48 20.89 0.29 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.913 1.285 . . . . 0.0 113.496 179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -71.36 -35.44 71.14 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.649 0.78 . . . . 0.0 109.888 156.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -159.15 69.28 0.45 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.656 1.582 . . . . 0.0 108.833 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -102.56 108.37 19.64 Favored 'General case' 0 C--N 1.346 0.418 0 C-N-CA 125.408 1.483 . . . . 0.0 108.038 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 69.2 mt -71.59 -61.66 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.887 1.275 . . . . 0.0 109.627 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -62.15 -48.36 80.44 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.36 1.464 . . . . 0.0 111.672 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.79 66.97 1.74 Allowed Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.871 1.224 . . . . 0.0 110.879 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -152.29 25.73 0.61 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.983 1.313 . . . . 0.0 112.442 178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.23 37.56 93.16 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 125.063 1.316 . . . . 0.0 113.844 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -141.09 177.31 8.15 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.569 1.547 . . . . 0.0 110.377 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.8 t -139.21 93.82 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 C-N-CA 124.38 1.072 . . . . 0.0 109.772 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 55.2 p30 -73.91 178.36 4.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.337 1.055 . . . . 0.0 112.315 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -53.55 -57.95 8.91 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 125.518 1.527 . . . . 0.0 111.235 -176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -58.26 -47.08 84.69 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.723 1.209 . . . . 0.0 112.374 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 48.4 tt0 -63.09 -42.11 99.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.829 1.252 . . . . 0.0 111.386 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -57.6 -53.39 58.69 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.117 1.367 . . . . 0.0 110.868 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.63 -56.55 16.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 123.752 0.821 . . . . 0.0 110.589 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -56.7 -35.74 68.84 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.202 1.401 . . . . 0.0 113.068 -176.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 9.4 ttp -67.82 -42.25 81.81 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.45 1.1 . . . . 0.0 111.585 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 49.3 mtt -70.59 -21.74 62.64 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.827 0.851 . . . . 0.0 112.548 170.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.7 m -119.42 55.44 0.96 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.44 1.496 . . . . 0.0 108.975 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -74.42 113.55 11.77 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.101 0.561 . . . . 0.0 110.357 -170.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.252 1.205 0 CA-C-O 117.128 -1.415 . . . . 0.0 107.753 174.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 CA-C-O 119.724 -0.487 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.4 t -163.81 150.35 11.7 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.578 1.151 . . . . 0.0 110.946 -174.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -149.59 -66.8 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.696 1.598 . . . . 0.0 109.147 176.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.44 150.27 31.33 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 110.569 171.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.12 129.56 43.38 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.792 1.237 . . . . 0.0 111.263 -175.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 60.7 p -84.97 -176.45 6.21 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.796 1.638 . . . . 0.0 111.625 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -50.71 -47.97 58.97 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.072 1.749 . . . . 0.0 112.923 177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -49.05 -44.76 41.97 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.852 1.661 . . . . 0.0 113.214 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.02 -48.57 62.63 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.536 1.134 . . . . 0.0 110.988 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 93.7 t -56.01 -37.96 50.84 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 124.433 1.093 . . . . 0.0 111.427 174.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -71.18 -35.68 71.69 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.056 1.342 . . . . 0.0 111.639 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.76 -42.54 95.06 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.121 0.873 . . . . 0.0 111.334 170.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -58.62 -50.25 74.51 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.83 0.852 . . . . 0.0 111.575 174.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 44.8 mtm -58.61 -57.58 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.624 0.77 . . . . 0.0 111.763 175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.1 tp -57.1 -34.87 46.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.131 0.972 . . . . 0.0 112.229 -172.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 60.6 m -64.52 -53.91 40.68 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 124.369 1.067 . . . . 0.0 110.576 173.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -29.94 68.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.395 1.078 . . . . 0.0 113.431 176.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.0 t90 -67.33 -47.81 69.38 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.39 1.876 . . . . 0.0 109.498 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.19 -35.41 71.58 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.029 1.732 . . . . 0.0 111.514 170.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 tptt -61.37 -39.42 90.59 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.327 1.451 . . . . 0.0 112.382 176.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -40.45 96.89 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 119.936 1.244 . . . . 0.0 111.175 177.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.02 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 124.042 0.937 . . . . 0.0 111.221 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.19 -56.57 8.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.853 1.261 . . . . 0.0 111.025 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -51.1 -56.75 11.08 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.33 1.452 . . . . 0.0 110.996 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -67.95 -55.5 12.51 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.748 1.619 . . . . 0.0 111.837 -175.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.28 69.65 1.29 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.383 1.473 . . . . 0.0 109.503 -161.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -154.09 104.9 2.67 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.15 1.78 . . . . 0.0 107.371 169.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 12.6 mptt . . . . . 0 C--O 1.253 1.254 0 CA-C-O 117.411 -1.28 . . . . 0.0 108.887 -175.484 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.202 0 CA-C-O 120.019 -0.323 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -74.46 120.77 20.48 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.439 1.096 . . . . 0.0 109.831 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -74.75 -53.23 9.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.635 1.174 . . . . 0.0 110.479 176.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -154.87 137.96 15.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.491 1.516 . . . . 0.0 109.139 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.77 132.69 49.35 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.894 1.277 . . . . 0.0 110.19 173.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 71.4 p -95.56 133.47 39.55 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.105 0.962 . . . . 0.0 109.23 169.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -54.73 -44.63 73.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.961 1.705 . . . . 0.0 113.028 -173.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -55.98 -46.11 78.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.767 1.627 . . . . 0.0 112.112 177.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.93 -40.47 97.73 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.788 1.235 . . . . 0.0 111.918 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -57.29 -50.87 75.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.691 0.796 . . . . 0.0 110.944 176.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -55.44 -50.37 70.01 Favored 'General case' 0 C--N 1.346 0.436 0 C-N-CA 123.544 0.738 . . . . 0.0 111.371 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.36 -42.85 99.37 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.061 0.944 . . . . 0.0 112.681 -176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -66.52 -37.73 85.68 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.771 1.228 . . . . 0.0 112.04 175.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.9 tmm? -68.1 -29.57 68.54 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.251 1.42 . . . . 0.0 112.133 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 57.0 mt -76.07 -36.09 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 125.462 1.505 . . . . 0.0 110.359 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -61.72 -39.66 92.3 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.851 0.861 . . . . 0.0 110.922 173.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -41.9 80.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.051 1.34 . . . . 0.0 112.131 173.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 50.0 m0 -55.53 -46.45 77.05 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.08 0.552 . . . . 0.0 111.2 175.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -41.29 97.17 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.71 1.604 . . . . 0.0 110.799 178.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -62.11 -49.62 75.17 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.639 1.575 . . . . 0.0 112.459 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -59.1 -41.26 87.69 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.089 0.858 . . . . 0.0 112.172 -176.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -65.2 -52.19 55.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.925 0.89 . . . . 0.0 109.743 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -48.4 -51.06 28.41 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.795 2.038 . . . . 0.0 111.823 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -60.22 -49.38 77.86 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.398 1.479 . . . . 0.0 112.598 -178.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -63.8 -64.97 0.75 Allowed 'General case' 0 C--N 1.347 0.462 0 CA-C-N 118.775 0.716 . . . . 0.0 110.07 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.57 83.26 5.58 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.242 1.017 . . . . 0.0 109.152 179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 tptt -127.81 49.15 2.17 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.86 1.264 . . . . 0.0 109.908 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm . . . . . 0 C--O 1.252 1.188 0 C-N-CA 125.618 1.567 . . . . 0.0 108.313 -179.074 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 111.683 0.253 . . . . 0.0 111.683 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -156.17 138.34 14.65 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.873 1.269 . . . . 0.0 109.415 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -157.32 150.54 23.73 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.211 1.004 . . . . 0.0 110.528 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -144.74 163.25 34.58 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.729 1.612 . . . . 0.0 110.84 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 t -146.36 163.32 35.94 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.666 1.586 . . . . 0.0 111.157 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -81.79 -11.79 58.83 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.929 1.692 . . . . 0.0 113.05 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -54.79 -48.02 73.26 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.393 1.477 . . . . 0.0 111.583 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -53.89 -45.41 71.07 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.855 1.662 . . . . 0.0 112.385 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 74.9 mt -61.43 -53.96 41.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 124.711 1.204 . . . . 0.0 109.907 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.5 -44.81 76.92 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.774 1.23 . . . . 0.0 111.753 177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -57.13 -47.93 79.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.883 1.273 . . . . 0.0 111.643 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.2 m-30 -65.7 -45.3 83.31 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.593 1.157 . . . . 0.0 111.221 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -54.23 -51.41 64.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.324 1.05 . . . . 0.0 111.326 174.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -56.83 -49.78 74.37 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.193 1.397 . . . . 0.0 111.262 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.87 -47.78 79.64 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.397 1.079 . . . . 0.0 112.152 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.61 -42.11 99.39 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.06 0.944 . . . . 0.0 111.989 176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -63.37 -38.19 90.19 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.962 1.305 . . . . 0.0 112.892 -175.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.26 -33.45 75.85 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.592 1.157 . . . . 0.0 112.178 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -68.95 -54.08 17.33 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.012 0.925 . . . . 0.0 109.849 165.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -87.63 66.29 8.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.029 1.732 . . . . 0.0 110.361 -169.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -68.43 -37.25 80.11 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.535 1.134 . . . . 0.0 112.086 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -58.38 -39.03 78.52 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.278 1.031 . . . . 0.0 112.007 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.48 -37.95 3.49 Favored Glycine 0 CA--C 1.533 1.176 0 C-N-CA 124.6 1.095 . . . . 0.0 113.332 173.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -42.01 -43.12 3.06 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.625 1.97 . . . . 0.0 115.084 -172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.84 19.44 7.32 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 124.957 1.265 . . . . 0.0 113.992 175.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 73.6 p -139.22 154.55 48.03 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.153 1.781 . . . . 0.0 109.364 169.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.6 mp -129.26 111.58 22.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.832 1.253 . . . . 0.0 107.753 175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.1 t -102.24 170.41 8.1 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.55 1.54 . . . . 0.0 111.082 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 76.6 p -46.95 -35.88 7.04 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 126.513 1.925 . . . . 0.0 113.937 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.34 -49.17 76.63 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.404 1.082 . . . . 0.0 111.178 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.78 -44.66 93.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.87 1.268 . . . . 0.0 110.972 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.51 -53.64 48.57 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.793 0.837 . . . . 0.0 110.271 171.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.9 -53.79 25.04 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 124.459 1.028 . . . . 0.0 112.301 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.6 m -55.89 -51.8 66.3 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.937 1.695 . . . . 0.0 111.464 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 51.0 t -57.53 -55.11 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 124.252 1.021 . . . . 0.0 110.861 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.6 mtp -63.08 -37.45 87.24 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.736 1.215 . . . . 0.0 111.848 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -62.56 -52.09 64.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 125.656 1.582 . . . . 0.0 112.174 174.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.5 m -47.85 -46.36 31.03 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.326 1.45 . . . . 0.0 111.577 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.5 mt -67.4 -69.34 0.32 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.352 1.461 . . . . 0.0 109.83 173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 158.51 62.04 0.01 OUTLIER Glycine 0 CA--C 1.533 1.168 0 CA-C-O 119.5 -0.611 . . . . 0.0 112.853 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -149.85 139.86 22.0 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.478 1.511 . . . . 0.0 109.897 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -119.48 79.15 20.98 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 125.837 1.655 . . . . 0.0 110.824 -173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.54 160.55 31.72 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 124.493 3.462 . . . . 0.0 113.369 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 m -86.46 130.27 34.56 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.63 1.572 . . . . 0.0 110.115 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.42 -46.66 86.04 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.292 1.437 . . . . 0.0 112.954 -176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.27 -45.5 72.46 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.437 1.095 . . . . 0.0 111.819 176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -68.58 -36.25 78.48 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 0.0 111.552 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 92.1 mt -64.97 -38.36 90.72 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.829 0.852 . . . . 0.0 112.233 172.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -67.96 -64.17 0.91 Allowed 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.846 0.859 . . . . 0.0 110.427 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -54.87 -47.39 74.29 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.063 1.745 . . . . 0.0 112.591 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.4 ptt? -55.76 -38.55 69.99 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.962 0.905 . . . . 0.0 113.033 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.3 mm -74.37 -47.43 40.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 125.454 1.502 . . . . 0.0 109.793 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -59.51 -27.96 66.63 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.017 1.727 . . . . 0.0 113.628 -176.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.8 -46.75 20.89 Favored 'General case' 0 C--N 1.348 0.523 0 C-N-CA 124.875 1.27 . . . . 0.0 111.007 169.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 1.9 t -99.02 38.3 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 124.54 1.136 . . . . 0.0 111.091 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -136.95 104.76 5.56 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.399 1.48 . . . . 0.0 108.368 175.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.39 -50.66 70.67 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.904 1.281 . . . . 0.0 110.984 175.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.95 -44.05 63.78 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.497 1.519 . . . . 0.0 111.514 169.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.51 48.06 77.41 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 125.154 1.359 . . . . 0.0 113.024 174.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.38 -49.34 12.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.449 1.1 . . . . 0.0 110.32 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.44 39.91 1.85 Allowed Glycine 0 CA--C 1.534 1.278 0 C-N-CA 126.594 2.045 . . . . 0.0 111.107 -175.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 39.6 p -150.39 107.86 3.64 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.805 2.042 . . . . 0.0 107.184 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -79.89 96.68 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.82 173.33 9.29 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.317 1.047 . . . . 0.0 111.053 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -52.15 73.42 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 124.817 1.247 . . . . 0.0 111.244 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.99 -49.5 12.64 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.456 2.771 . . . . 0.0 112.18 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -60.85 -35.37 76.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.886 1.275 . . . . 0.0 113.35 -175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -70.41 -52.04 25.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.966 0.906 . . . . 0.0 110.695 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mp -57.8 -40.23 79.41 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.111 1.364 . . . . 0.0 110.862 176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 96.2 m -58.95 -66.39 0.51 Allowed 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.078 1.351 . . . . 0.0 109.829 171.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 39.0 ttp -34.0 -54.24 0.48 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.34 2.256 . . . . 0.0 113.374 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.7 mmt -73.64 -48.85 29.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.116 0.966 . . . . 0.0 112.086 -176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.15 -69.88 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.407 1.083 . . . . 0.0 112.122 -173.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -81.53 -59.54 2.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.865 1.266 . . . . 0.0 110.809 -174.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 57.6 tttm 94.72 122.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.707 2.803 . . . . 0.0 111.074 172.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.5 tpt 80.2 131.26 0.05 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.22 2.208 . . . . 0.0 110.306 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -84.95 74.62 10.49 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.623 0.769 . . . . 0.0 110.764 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.48 -155.75 0.68 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.073 1.349 . . . . 0.0 110.475 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.2 p -89.1 -69.75 0.69 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.634 1.974 . . . . 0.0 109.06 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -85.95 66.0 9.39 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.9 1.68 . . . . 0.0 108.439 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -79.69 -48.99 12.77 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.487 1.915 . . . . 0.0 110.808 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -56.34 -28.42 58.93 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.294 1.437 . . . . 0.0 113.25 174.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -54.07 -34.56 60.44 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.288 1.435 . . . . 0.0 112.201 173.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -67.31 -47.94 69.05 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.236 1.014 . . . . 0.0 111.556 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.64 -43.03 86.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 125.459 1.504 . . . . 0.0 111.101 171.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.7 tpt85 -64.54 -47.5 78.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.47 0.708 . . . . 0.0 111.268 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -54.25 -47.31 72.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.761 2.025 . . . . 0.0 110.84 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.46 -42.6 82.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.666 0.786 . . . . 0.0 111.84 174.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -65.88 -23.8 66.73 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -67.64 -40.99 84.56 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 120.475 1.488 . . . . 0.0 111.208 170.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.59 -48.81 70.11 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.6 1.16 . . . . 0.0 110.733 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.78 -68.17 0.53 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.693 1.197 . . . . 0.0 109.834 -175.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -83.92 117.53 23.4 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.925 1.29 . . . . 0.0 109.674 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt -66.5 -34.25 77.49 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 122.645 0.378 . . . . 0.0 111.283 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -68.18 -65.59 0.68 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.081 1.352 . . . . 0.0 110.813 176.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.25 71.57 1.13 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 109.576 -1.409 . . . . 0.0 109.576 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -147.03 24.13 1.18 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.301 1.441 . . . . 0.0 112.436 -173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.09 35.95 86.32 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.607 1.098 . . . . 0.0 113.394 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -153.7 96.01 1.95 Allowed 'General case' 0 C--N 1.343 0.295 0 C-N-CA 126.228 1.811 . . . . 0.0 107.7 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.5 mp -93.62 106.0 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -68.35 151.43 46.9 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.811 0.844 . . . . 0.0 111.19 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.24 -40.13 73.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.494 1.118 . . . . 0.0 112.114 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.49 -48.13 83.11 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.779 1.232 . . . . 0.0 111.93 175.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.23 -38.2 90.19 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.756 1.222 . . . . 0.0 111.876 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tt -64.69 -45.14 87.91 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.157 1.383 . . . . 0.0 110.698 176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -60.16 -37.29 79.68 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.886 1.275 . . . . 0.0 111.835 171.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -59.26 -56.82 17.19 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.613 1.165 . . . . 0.0 110.83 -175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.4 p -56.76 -43.38 79.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 124.413 1.085 . . . . 0.0 112.344 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.5 mmm -51.79 -57.59 8.86 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.247 1.419 . . . . 0.0 111.207 173.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.9 m -61.43 -36.7 81.08 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.267 1.427 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.76 -39.76 68.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.31 1.444 . . . . 0.0 111.895 -176.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.43 -55.19 38.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.796 1.238 . . . . 0.0 111.075 174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.17 49.72 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 C-N-CA 126.406 1.955 . . . . 0.0 109.829 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -135.4 80.15 1.82 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.688 1.595 . . . . 0.0 107.717 -177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -80.36 89.56 5.56 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.553 1.141 . . . . 0.0 108.05 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.7 mt -116.93 159.44 22.44 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.814 1.646 . . . . 0.0 110.253 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.9 p -70.7 122.26 19.48 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.737 1.215 . . . . 0.0 110.337 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -72.2 1.06 8.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.33 1.452 . . . . 0.0 114.57 -175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -62.72 -45.67 91.64 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.229 0.922 . . . . 0.0 111.51 176.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -59.72 -38.8 82.67 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.816 0.734 . . . . 0.0 111.541 171.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 59.7 t -58.94 -41.99 84.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.637 0.775 . . . . 0.0 110.719 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -67.58 -37.34 82.45 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-O 118.666 -0.683 . . . . 0.0 111.863 174.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.73 -56.66 19.34 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-N 119.416 1.007 . . . . 0.0 111.511 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.265 0.0 OUTLIER -80.73 29.48 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 175.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 85.5 mt -110.4 -62.79 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 153.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -48.7 -41.54 32.1 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.832 2.453 . . . . 0.0 114.312 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.79 -33.93 57.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.464 1.106 . . . . 0.0 112.598 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -141.58 68.74 1.33 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.183 1.393 . . . . 0.0 109.85 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -114.71 97.44 6.27 Favored 'General case' 0 C--N 1.345 0.4 0 C-N-CA 125.59 1.556 . . . . 0.0 107.242 168.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.8 mt -59.24 -55.48 23.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 125.434 1.494 . . . . 0.0 110.726 -178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -60.64 -41.86 95.77 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.339 1.056 . . . . 0.0 112.017 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.84 71.75 0.98 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 109.521 -1.432 . . . . 0.0 109.521 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 40.9 p-10 -150.23 9.52 0.65 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.817 1.247 . . . . 0.0 113.427 -167.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.28 34.08 88.09 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.503 1.049 . . . . 0.0 113.1 -174.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -141.8 163.05 33.94 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.474 1.51 . . . . 0.0 110.034 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.32 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 C-N-CA 125.512 1.525 . . . . 0.0 107.974 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -68.68 168.06 13.95 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.646 0.778 . . . . 0.0 110.858 169.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -51.98 66.85 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.212 1.005 . . . . 0.0 111.068 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -55.06 -50.32 69.42 Favored 'General case' 0 C--N 1.344 0.339 0 C-N-CA 124.345 1.058 . . . . 0.0 111.198 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -51.69 -45.19 63.39 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.147 0.979 . . . . 0.0 111.941 177.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -56.72 -47.23 80.44 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.082 0.856 . . . . 0.0 111.742 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.93 -57.01 13.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 123.367 0.667 . . . . 0.0 109.977 176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -70.74 -16.52 62.78 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 27.7 mtp -67.04 -47.24 71.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 119.858 1.208 . . . . 0.0 109.672 169.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -78.62 -19.84 51.74 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.65 1.18 . . . . 0.0 112.672 172.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 11.2 m -123.28 57.6 1.14 Allowed 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.573 1.549 . . . . 0.0 109.111 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.5 118.2 30.73 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 173.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.3 tptp . . . . . 0 C--O 1.254 1.29 0 CA-C-O 117.464 -1.255 . . . . 0.0 109.831 -176.576 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.374 0 N-CA-C 113.7 0.24 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.4 m -139.33 64.45 1.47 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.527 1.531 . . . . 0.0 109.008 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -173.64 124.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.524 1.529 . . . . 0.0 107.889 -177.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -141.06 73.32 1.42 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.057 0.543 . . . . 0.0 111.024 -161.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.77 108.0 3.25 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.672 1.189 . . . . 0.0 110.098 -178.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 80.5 p -144.28 152.54 40.93 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.648 1.579 . . . . 0.0 110.561 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.0 -42.39 69.0 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.836 1.254 . . . . 0.0 111.388 172.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.5 p -58.31 -56.46 21.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.773 1.229 . . . . 0.0 110.881 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -49.98 -48.44 52.28 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.728 1.211 . . . . 0.0 112.026 177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 69.7 t -56.52 -59.7 2.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 124.034 0.933 . . . . 0.0 110.98 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -67.05 -32.32 73.43 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.3 -43.73 92.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.075 1.35 . . . . 0.0 111.172 172.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -64.04 -37.66 88.22 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.35 0.66 . . . . 0.0 111.512 171.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 47.5 mtm -76.04 18.69 0.26 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.058 0.844 . . . . 0.0 113.177 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.34 -37.87 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 127.465 2.306 . . . . 0.0 108.951 166.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -67.6 -61.66 1.79 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.076 1.75 . . . . 0.0 110.25 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.57 -29.76 66.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.422 1.489 . . . . 0.0 112.485 174.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.0 t90 -71.95 -47.6 51.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.6 1.96 . . . . 0.0 111.246 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -52.2 -40.19 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.158 1.383 . . . . 0.0 110.643 168.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.86 88.35 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.149 1.38 . . . . 0.0 113.244 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.7 -44.37 85.81 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.455 1.025 . . . . 0.0 111.55 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.53 -46.11 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.569 1.547 . . . . 0.0 109.998 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 tm-20 -53.37 -65.53 0.55 Allowed 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.584 1.554 . . . . 0.0 109.567 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -44.69 -59.29 2.57 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.416 1.886 . . . . 0.0 112.063 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 tmmt? -62.11 -33.77 75.08 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.958 1.703 . . . . 0.0 112.683 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -120.62 63.99 0.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.688 1.195 . . . . 0.0 110.201 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 tmtt? -162.47 107.16 1.17 Allowed 'General case' 0 C--N 1.342 0.278 0 C-N-CA 125.715 1.606 . . . . 0.0 107.44 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--O 1.253 1.284 0 CA-C-O 117.13 -1.414 . . . . 0.0 109.466 -171.417 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.233 0 CA-C-O 120.526 -0.041 . . . . 0.0 113.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -150.14 -57.09 0.18 Allowed 'General case' 0 C--N 1.342 0.281 0 C-N-CA 125.452 1.501 . . . . 0.0 109.467 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -62.69 -42.19 99.51 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.705 1.202 . . . . 0.0 111.144 174.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -82.14 70.74 9.14 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.686 1.194 . . . . 0.0 108.72 176.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.94 106.55 1.62 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.437 1.095 . . . . 0.0 108.588 -175.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.3 p -95.95 136.56 36.23 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.009 0.924 . . . . 0.0 110.352 178.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -52.67 -43.6 65.66 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 126.775 2.03 . . . . 0.0 112.381 178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 40.5 t -55.18 -55.01 36.04 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.725 1.61 . . . . 0.0 111.669 175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -62.39 -47.74 82.82 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.212 1.405 . . . . 0.0 111.589 -176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 40.1 t -48.67 -51.48 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 125.264 1.426 . . . . 0.0 111.072 173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -70.58 -34.68 72.46 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.945 1.298 . . . . 0.0 112.512 -175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.03 -52.17 61.69 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.557 1.143 . . . . 0.0 111.656 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -67.02 -10.46 49.98 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.089 0.956 . . . . 0.0 113.033 176.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.67 -25.51 28.41 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.496 1.918 . . . . 0.0 110.866 170.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.4 mt -69.08 -39.6 79.71 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 164.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -60.53 -37.35 80.92 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.031 0.932 . . . . 0.0 111.31 171.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -44.7 95.5 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 118.961 0.801 . . . . 0.0 112.049 172.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.3 m0 -56.55 -42.39 78.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 123.588 0.755 . . . . 0.0 111.612 173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -62.47 -48.77 78.14 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.579 1.152 . . . . 0.0 111.303 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -59.39 -49.24 78.57 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.922 2.089 . . . . 0.0 111.052 -177.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -37.72 -57.15 1.01 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.357 1.863 . . . . 0.0 111.554 167.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.04 -41.5 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 118.381 -0.819 . . . . 0.0 111.869 -177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -49.23 -51.82 30.91 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.335 1.054 . . . . 0.0 111.411 177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -61.65 -48.08 82.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.154 1.382 . . . . 0.0 111.903 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -69.61 -36.21 75.99 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.561 1.144 . . . . 0.0 113.347 -173.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -53.58 -40.85 65.97 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.635 1.974 . . . . 0.0 111.953 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -66.76 123.47 20.21 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.104 0.962 . . . . 0.0 109.259 165.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 85.4 tttt . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.256 -1.354 . . . . 0.0 110.225 178.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -131.38 101.04 5.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.841 1.257 . . . . 0.0 109.312 -169.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -66.39 131.42 46.04 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.037 1.335 . . . . 0.0 110.999 -176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.4 pp -67.43 153.25 44.12 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.896 1.279 . . . . 0.0 111.561 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.8 m -144.74 152.75 40.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.224 1.01 . . . . 0.0 110.756 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.86 -1.78 6.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.516 1.926 . . . . 0.0 114.823 176.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -57.29 -50.49 72.75 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.08 1.352 . . . . 0.0 110.763 174.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.54 -44.25 80.67 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.266 1.026 . . . . 0.0 111.901 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -57.74 -51.17 73.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 124.583 1.153 . . . . 0.0 110.415 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.8 75.67 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.78 1.232 . . . . 0.0 111.819 175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -38.12 77.26 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.861 1.264 . . . . 0.0 112.049 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -76.67 -42.43 41.81 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.399 1.079 . . . . 0.0 111.598 -178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -57.4 -42.63 82.62 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.41 0.684 . . . . 0.0 111.287 173.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -54.95 -51.06 67.3 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.249 1.02 . . . . 0.0 110.993 171.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.09 -48.21 64.84 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.586 1.154 . . . . 0.0 112.939 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -76.46 -50.92 12.83 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.361 1.064 . . . . 0.0 112.365 -179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -61.36 -43.46 98.83 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.1 1.36 . . . . 0.0 112.621 -172.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 tt -51.3 -49.27 61.62 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.647 1.179 . . . . 0.0 109.733 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -49.06 78.49 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 112.158 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.23 73.73 1.79 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.569 1.147 . . . . 0.0 109.047 173.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.22 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.914 1.286 . . . . 0.0 110.586 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -55.43 -45.86 76.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.934 1.293 . . . . 0.0 111.411 170.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.79 -15.12 59.93 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.513 1.054 . . . . 0.0 114.431 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -53.06 -37.47 61.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.095 1.358 . . . . 0.0 113.642 -178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.46 33.78 3.28 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.175 1.369 . . . . 0.0 112.966 175.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.1 p -146.15 140.16 26.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.452 1.901 . . . . 0.0 108.392 168.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.4 mp -111.9 78.0 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -65.6 175.04 1.98 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.074 0.949 . . . . 0.0 111.204 171.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.8 p -52.08 -46.16 65.09 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.38 1.472 . . . . 0.0 112.303 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.42 -51.22 70.82 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.103 0.961 . . . . 0.0 112.055 -176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.41 -39.5 90.97 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.422 0.689 . . . . 0.0 111.727 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.19 -41.85 69.05 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.249 1.02 . . . . 0.0 110.633 170.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.22 -56.06 24.22 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.19 1.852 . . . . 0.0 112.981 176.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 74.4 p -55.73 -42.15 74.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.214 1.406 . . . . 0.0 112.845 -175.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.9 -52.18 58.62 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 C-N-CA 125.057 1.343 . . . . 0.0 110.725 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.5 mtt -65.1 -40.69 94.94 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.927 1.291 . . . . 0.0 112.302 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -48.36 80.11 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 125.537 1.535 . . . . 0.0 111.366 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.3 t -52.61 -43.63 65.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.343 1.457 . . . . 0.0 112.177 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.4 mt -68.29 -57.8 5.39 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.866 0.866 . . . . 0.0 110.101 175.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 146.57 54.88 0.02 OUTLIER Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.114 0.864 . . . . 0.0 112.508 171.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -146.04 135.66 23.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.262 1.425 . . . . 0.0 109.36 172.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -105.7 83.97 1.12 Allowed Pre-proline 0 CA--C 1.542 0.649 0 C-N-CA 126.249 1.82 . . . . 0.0 110.049 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -66.42 158.25 56.24 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 123.161 2.574 . . . . 0.0 112.503 178.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -99.49 128.8 45.62 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.432 1.493 . . . . 0.0 108.983 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -57.65 -35.56 70.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.94 1.296 . . . . 0.0 114.144 -168.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.45 -49.51 69.87 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.062 0.945 . . . . 0.0 111.616 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.35 -47.09 87.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.705 1.202 . . . . 0.0 111.223 175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 65.1 mt -52.57 -34.61 51.19 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.788 1.235 . . . . 0.0 113.414 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -70.66 -59.32 2.89 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 118.642 0.656 . . . . 0.0 110.599 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.89 -50.01 61.89 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.288 1.435 . . . . 0.0 112.822 -173.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.7 ptp -46.11 -38.79 8.53 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.793 1.237 . . . . 0.0 113.804 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.8 mm -80.53 -47.36 20.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 C-N-CA 125.84 1.656 . . . . 0.0 109.607 175.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -52.18 -40.27 61.26 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.375 1.87 . . . . 0.0 113.44 -173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -36.51 -63.17 0.42 Allowed 'General case' 0 C--N 1.35 0.599 0 C-N-CA 126.702 2.001 . . . . 0.0 112.182 176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.8 t -81.74 -34.28 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 111.635 -175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -66.34 105.68 1.51 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.393 1.077 . . . . 0.0 110.347 -177.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.63 -55.33 35.83 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.897 1.279 . . . . 0.0 110.83 177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -51.51 -45.36 62.87 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.718 1.607 . . . . 0.0 111.641 171.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 63.5 46.02 93.44 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.232 1.396 . . . . 0.0 112.652 172.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -72.63 -50.42 25.33 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.538 1.535 . . . . 0.0 110.147 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 134.28 -60.05 0.66 Allowed Glycine 0 CA--C 1.531 1.065 0 N-CA-C 108.4 -1.88 . . . . 0.0 108.4 -169.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.1 p -59.35 120.94 10.24 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.476 1.511 . . . . 0.0 110.614 173.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.1 tp -94.84 92.81 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 168.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.43 177.13 5.46 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.321 1.048 . . . . 0.0 111.14 -174.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -45.15 -66.07 0.54 Allowed Pre-proline 0 CA--C 1.539 0.549 0 C-N-CA 125.194 1.398 . . . . 0.0 112.072 172.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.28 -40.12 78.61 Favored 'Trans proline' 0 CA--C 1.538 0.707 0 C-N-CA 123.093 2.529 . . . . 0.0 112.431 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.57 -47.73 82.58 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -64.61 -43.73 92.84 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.092 0.86 . . . . 0.0 111.595 178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mp -55.44 -41.42 72.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.307 1.043 . . . . 0.0 111.415 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 19.1 m -71.59 -53.83 12.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.167 0.987 . . . . 0.0 111.269 176.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 32.2 ttm -34.46 -63.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.524 2.729 . . . . 0.0 112.538 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.36 -65.24 1.03 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.581 1.153 . . . . 0.0 111.163 -173.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.26 -57.56 12.49 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.282 1.033 . . . . 0.0 112.136 -173.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.4 mpt_? -86.75 -113.75 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.377 1.071 . . . . 0.0 108.155 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.8 tmtt? -152.57 -131.9 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.409 1.004 . . . . 0.0 109.456 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 20.2 ptm -68.75 167.77 14.69 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.913 1.233 . . . . 0.0 112.742 178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -81.11 77.45 8.0 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 110.566 -167.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -143.4 -172.35 3.69 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.86 1.664 . . . . 0.0 110.253 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -73.93 -78.61 0.09 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.07 1.348 . . . . 0.0 110.175 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -78.49 80.84 4.86 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.804 1.641 . . . . 0.0 108.859 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 69.5 m -97.78 -42.25 7.68 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.018 1.327 . . . . 0.0 112.573 -173.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.61 -20.35 63.25 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -67.57 -36.79 81.59 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.804 0.842 . . . . 0.0 111.504 171.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -64.17 -27.34 69.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.215 1.006 . . . . 0.0 113.023 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.3 mm -59.83 -44.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 124.339 1.056 . . . . 0.0 110.203 167.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -36.84 82.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 118.527 -0.749 . . . . 0.0 112.444 176.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -58.76 -37.39 76.15 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.994 0.816 . . . . 0.0 111.382 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.98 -40.15 68.8 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.27 1.028 . . . . 0.0 112.264 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -72.6 -41.99 65.02 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.254 1.022 . . . . 0.0 112.223 -174.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -58.82 -32.0 68.99 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 120.11 1.323 . . . . 0.0 112.483 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.8 t -68.5 -58.02 7.2 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.473 1.109 . . . . 0.0 109.609 170.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.22 -71.17 0.32 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.476 0.71 . . . . 0.0 111.515 -172.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -69.3 102.24 1.68 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.236 1.414 . . . . 0.0 108.905 171.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.15 -39.7 79.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.217 1.007 . . . . 0.0 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -63.69 -61.68 2.15 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.846 1.258 . . . . 0.0 110.963 173.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.88 64.29 2.37 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 124.763 1.173 . . . . 0.0 110.342 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -137.79 14.33 2.91 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.999 1.72 . . . . 0.0 112.984 -172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 64.2 46.93 89.6 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.925 1.25 . . . . 0.0 112.466 -175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -162.59 90.7 0.72 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.814 2.046 . . . . 0.0 107.358 178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -98.64 109.33 23.8 Favored 'Isoleucine or valine' 0 C--N 1.343 0.315 0 C-N-CA 124.419 1.088 . . . . 0.0 108.995 -175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 81.8 p -77.3 155.48 32.01 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.279 1.032 . . . . 0.0 112.447 -178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.09 59.49 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.724 1.61 . . . . 0.0 112.754 170.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -67.36 -52.52 39.04 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.565 1.146 . . . . 0.0 111.68 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -60.44 -34.75 74.42 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.562 1.145 . . . . 0.0 112.28 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 30.8 mt -63.42 -59.23 4.95 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.264 1.026 . . . . 0.0 110.177 173.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -50.94 -50.21 58.27 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.991 1.316 . . . . 0.0 112.102 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 67.7 t60 -47.99 -61.51 1.93 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.522 1.929 . . . . 0.0 112.493 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.71 -47.02 90.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.987 0.915 . . . . 0.0 111.035 -176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 75.1 mtm -57.7 -39.06 76.32 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.129 0.972 . . . . 0.0 112.828 175.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -65.37 -49.46 69.24 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.308 1.043 . . . . 0.0 111.084 176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -51.56 -45.14 62.96 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.107 1.363 . . . . 0.0 112.448 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 73.2 mt -59.83 -57.3 13.51 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.769 1.227 . . . . 0.0 111.329 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 172.97 -51.38 0.16 Allowed Glycine 0 CA--C 1.529 0.942 0 CA-C-O 119.501 -0.611 . . . . 0.0 112.912 -177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.0 pm0 -63.03 102.24 0.35 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.616 1.166 . . . . 0.0 112.381 -167.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -90.2 55.4 3.07 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.948 1.299 . . . . 0.0 110.084 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 53.1 mt -82.84 150.44 26.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.559 1.544 . . . . 0.0 109.238 174.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.9 p -67.98 137.39 55.09 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.49 0.716 . . . . 0.0 111.849 -167.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.17 -30.76 71.29 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.395 1.478 . . . . 0.0 113.817 -174.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -53.97 -31.09 49.55 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.908 0.883 . . . . 0.0 112.928 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -63.27 -43.25 98.48 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.093 1.357 . . . . 0.0 111.555 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.5 -52.3 58.83 Favored 'Isoleucine or valine' 0 C--N 1.347 0.493 0 C-N-CA 125.539 1.536 . . . . 0.0 110.096 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -55.72 -41.71 74.25 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.847 1.659 . . . . 0.0 112.265 173.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.42 -54.26 46.02 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.427 1.091 . . . . 0.0 111.503 -174.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -41.89 79.28 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.381 1.072 . . . . 0.0 112.1 -177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 88.8 mt -56.84 -58.46 5.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -61.86 -24.17 66.74 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.439 1.496 . . . . 0.0 114.722 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -57.17 -35.99 70.23 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.1 1.318 . . . . 0.0 111.711 171.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.99 75.66 1.15 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.943 0.897 . . . . 0.0 110.188 173.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -104.97 95.48 5.89 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 170.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 33.2 mm -69.35 -51.66 40.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 124.9 1.28 . . . . 0.0 110.124 -178.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.17 -55.6 20.66 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.585 1.554 . . . . 0.0 111.619 -176.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.93 67.69 1.52 Allowed Glycine 0 CA--C 1.531 1.076 0 C-N-CA 124.412 1.006 . . . . 0.0 111.469 176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -148.37 25.46 0.98 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.025 1.33 . . . . 0.0 112.382 173.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 65.56 24.62 71.12 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 124.992 1.282 . . . . 0.0 114.544 176.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -137.2 -171.97 3.09 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.393 1.477 . . . . 0.0 109.872 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 t -138.64 114.04 9.18 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.212 1.005 . . . . 0.0 109.757 -177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -78.57 179.51 7.05 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.321 1.848 . . . . 0.0 111.598 175.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -59.94 -63.77 1.18 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.365 1.066 . . . . 0.0 111.098 174.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -50.38 -47.09 56.41 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.547 1.539 . . . . 0.0 111.424 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -59.13 -53.38 59.0 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.964 1.305 . . . . 0.0 111.11 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -51.47 -54.17 29.78 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 125.912 1.685 . . . . 0.0 112.13 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 96.2 t -54.95 -51.88 49.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 124.11 0.964 . . . . 0.0 109.828 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.96 -22.0 63.21 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.969 1.307 . . . . 0.0 114.204 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 44.2 mtm -56.94 -55.58 32.71 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.326 1.421 . . . . 0.0 109.553 170.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 43.1 mtp -74.78 -40.5 61.12 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 126.44 1.896 . . . . 0.0 110.859 -175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -105.71 59.55 0.66 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.668 1.987 . . . . 0.0 108.467 -178.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -79.5 93.54 5.43 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.689 1.196 . . . . 0.0 110.977 -177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? . . . . . 0 C--O 1.252 1.227 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 155.809 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.107 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.0 m -142.28 -75.22 0.29 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.44 1.496 . . . . 0.0 108.084 173.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -91.66 169.93 10.33 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.185 1.394 . . . . 0.0 110.727 171.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -159.69 146.67 16.55 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.924 0.89 . . . . 0.0 110.245 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.49 153.02 51.32 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.115 1.766 . . . . 0.0 111.187 -173.13 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 72.0 p -141.46 150.93 42.9 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.258 1.823 . . . . 0.0 110.225 -174.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.72 -35.23 60.96 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.652 1.181 . . . . 0.0 111.839 168.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 50.9 m -56.03 -60.9 2.82 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.607 1.163 . . . . 0.0 110.211 175.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -48.4 -46.96 37.88 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.069 1.347 . . . . 0.0 112.103 178.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.87 -55.63 22.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.306 1.042 . . . . 0.0 111.04 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -69.15 -32.67 72.18 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.1 mp -64.26 -47.21 80.45 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.567 1.147 . . . . 0.0 110.636 174.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -64.45 -35.96 82.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.452 1.101 . . . . 0.0 112.429 172.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 52.6 ttm -60.38 -57.37 13.07 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 124.779 1.232 . . . . 0.0 110.199 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tt -71.17 -23.75 23.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 124.32 1.048 . . . . 0.0 112.984 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 41.3 m -63.27 -53.84 46.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.17 0.988 . . . . 0.0 109.981 166.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.44 74.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.314 1.045 . . . . 0.0 112.828 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.04 -40.96 77.77 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.807 1.643 . . . . 0.0 111.197 176.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 65.1 tttt -62.55 -28.3 69.77 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.342 1.857 . . . . 0.0 112.829 176.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -66.81 -42.32 86.12 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.276 1.03 . . . . 0.0 111.696 175.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -48.78 80.33 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.823 0.738 . . . . 0.0 110.997 -178.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.32 -42.05 94.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.364 1.066 . . . . 0.0 110.533 -178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.06 -48.91 78.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.329 1.052 . . . . 0.0 110.465 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -56.63 -49.45 74.95 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.751 1.62 . . . . 0.0 111.699 174.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -58.88 -46.24 88.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.979 1.312 . . . . 0.0 111.333 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -115.15 83.43 1.91 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.596 1.559 . . . . 0.0 109.278 -173.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 pttt -147.86 61.73 1.13 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.392 1.477 . . . . 0.0 110.525 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 67.2 mttm . . . . . 0 C--O 1.251 1.164 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.136 172.832 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 N-CA-C 111.64 -0.584 . . . . 0.0 111.64 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -158.41 153.27 25.02 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.015 1.326 . . . . 0.0 110.7 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m-70 -151.3 140.57 21.34 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.636 1.575 . . . . 0.0 110.113 171.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -78.73 127.18 31.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.545 1.138 . . . . 0.0 108.654 170.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -146.01 141.85 28.07 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.969 1.307 . . . . 0.0 110.118 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.2 p -119.89 167.93 11.63 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.579 1.552 . . . . 0.0 111.127 -171.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -59.71 -50.95 71.85 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.207 1.003 . . . . 0.0 110.051 171.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -52.53 -41.66 63.67 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.772 1.629 . . . . 0.0 113.006 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -59.31 -53.87 53.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.471 1.108 . . . . 0.0 110.587 176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 78.4 t -57.06 -52.26 58.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.285 1.434 . . . . 0.0 111.524 -178.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -32.28 73.65 Favored 'General case' 0 C--N 1.346 0.428 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.42 -42.32 68.41 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.736 0.814 . . . . 0.0 111.415 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -71.54 -26.73 62.77 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.328 1.051 . . . . 0.0 112.361 177.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -61.5 -43.6 98.57 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.772 0.829 . . . . 0.0 110.991 167.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 97.7 mt -70.64 -36.46 65.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.403 1.081 . . . . 0.0 110.772 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 48.5 m -54.78 -48.15 73.04 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.915 0.886 . . . . 0.0 110.603 170.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -35.65 47.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.818 1.247 . . . . 0.0 113.501 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.9 m0 -55.64 -37.48 68.27 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.989 0.916 . . . . 0.0 112.336 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -56.13 -44.72 79.46 Favored 'General case' 0 C--N 1.347 0.499 0 CA-C-N 118.757 0.708 . . . . 0.0 111.182 171.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtm? -63.7 -46.81 83.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.137 1.375 . . . . 0.0 112.317 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -47.67 -57.05 5.98 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.984 1.314 . . . . 0.0 110.082 170.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -61.52 -39.57 83.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 123.731 0.812 . . . . 0.0 111.525 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -59.05 -35.75 73.85 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.683 1.193 . . . . 0.0 112.276 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -76.97 -52.56 9.17 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.222 1.009 . . . . 0.0 110.642 174.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.64 -26.9 65.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 126.199 1.8 . . . . 0.0 113.305 -176.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 6.1 mmtp -42.57 -59.08 2.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.92 2.088 . . . . 0.0 110.781 167.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.15 132.53 46.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.634 1.174 . . . . 0.0 109.419 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.136 0 C-N-CA 125.165 1.386 . . . . 0.0 112.418 -175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 119.846 -0.121 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -70.44 161.56 30.31 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.752 1.221 . . . . 0.0 111.875 -179.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -74.01 98.5 3.08 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.643 1.177 . . . . 0.0 109.766 176.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -76.94 -68.69 0.58 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.785 1.234 . . . . 0.0 109.506 178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 m -104.97 148.77 26.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.889 1.675 . . . . 0.0 109.941 -175.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -77.95 6.5 7.63 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.037 1.335 . . . . 0.0 113.701 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -68.53 -52.42 32.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.674 1.19 . . . . 0.0 111.551 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -52.03 -34.69 44.34 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.652 1.181 . . . . 0.0 112.658 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 60.9 mt -57.06 -53.16 46.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 125.305 1.442 . . . . 0.0 109.559 174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.1 61.5 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.521 1.129 . . . . 0.0 111.703 175.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -54.25 -42.19 69.63 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.379 1.072 . . . . 0.0 113.024 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -68.6 -41.57 79.39 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.249 1.02 . . . . 0.0 111.213 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -57.84 -51.68 68.59 Favored 'General case' 0 C--N 1.345 0.379 0 C-N-CA 123.889 0.876 . . . . 0.0 111.121 171.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -54.54 -46.9 73.7 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.002 1.321 . . . . 0.0 112.223 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.31 -50.84 72.19 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.526 1.13 . . . . 0.0 112.203 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -60.15 -50.16 74.79 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.644 1.177 . . . . 0.0 111.789 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 71.5 m -55.12 -28.4 52.34 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.336 1.854 . . . . 0.0 113.539 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.9 tp -58.02 -44.61 87.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.664 1.186 . . . . 0.0 111.723 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -71.84 -48.31 47.08 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.926 1.29 . . . . 0.0 110.14 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -82.29 83.3 7.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.625 1.17 . . . . 0.0 110.351 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.35 -46.25 64.51 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.596 1.159 . . . . 0.0 109.554 169.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -49.62 -41.45 42.36 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.127 1.771 . . . . 0.0 113.014 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.32 -4.06 86.45 Favored Glycine 0 CA--C 1.538 1.492 0 CA-C-O 118.813 -0.993 . . . . 0.0 114.035 -175.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -64.03 -26.65 68.66 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.859 1.33 . . . . 0.0 113.172 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.14 39.09 45.86 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.068 1.318 . . . . 0.0 112.947 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.0 p -144.16 100.93 3.64 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.778 1.631 . . . . 0.0 108.472 178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.1 mt -83.09 106.41 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 125.381 1.473 . . . . 0.0 108.4 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 t -104.52 164.51 11.7 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.172 1.389 . . . . 0.0 111.222 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.8 p -48.67 -42.15 33.73 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.961 2.104 . . . . 0.0 112.601 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -66.43 -37.27 84.82 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.077 1.351 . . . . 0.0 112.517 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.97 -44.3 96.41 Favored 'General case' 0 C--N 1.347 0.486 0 CA-C-N 118.814 0.734 . . . . 0.0 111.175 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.93 -41.43 87.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.653 0.781 . . . . 0.0 110.717 171.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.6 -55.99 17.66 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.713 1.149 . . . . 0.0 112.347 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 67.8 p -63.53 -44.2 94.91 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.612 1.565 . . . . 0.0 112.524 -178.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.3 t -53.78 -54.77 17.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 124.906 1.282 . . . . 0.0 110.676 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 37.1 mtm -57.92 -39.81 78.89 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.608 1.163 . . . . 0.0 112.651 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -53.62 56.15 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.701 1.2 . . . . 0.0 112.163 177.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.5 m -54.53 -33.78 60.63 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.506 1.522 . . . . 0.0 112.651 -177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 48.8 mt -90.17 -44.4 9.79 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.702 1.601 . . . . 0.0 111.173 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 138.92 60.08 0.05 OUTLIER Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.497 1.046 . . . . 0.0 113.239 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.8 mm-40 -148.74 138.64 22.17 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.735 2.014 . . . . 0.0 109.269 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -113.66 78.1 3.67 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 126.348 1.859 . . . . 0.0 110.253 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -73.44 163.61 37.23 Favored 'Trans proline' 0 CA--C 1.54 0.801 0 C-N-CA 123.66 2.906 . . . . 0.0 112.991 -176.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -97.4 142.26 29.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.787 1.635 . . . . 0.0 111.604 -174.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -55.03 -41.45 71.38 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.334 1.853 . . . . 0.0 114.061 -175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.54 -51.92 63.34 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 124.478 1.111 . . . . 0.0 111.627 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -66.17 -36.38 82.93 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.313 1.045 . . . . 0.0 111.899 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.37 -34.66 64.5 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.893 1.277 . . . . 0.0 112.897 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -78.94 -55.55 5.06 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.646 0.778 . . . . 0.0 110.821 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -59.31 -36.6 75.93 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.637 1.175 . . . . 0.0 113.879 -174.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -62.09 -23.39 66.49 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.015 0.926 . . . . 0.0 113.456 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.2 mm -93.34 -53.42 8.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 126.026 1.73 . . . . 0.0 109.987 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -62.93 -19.27 64.08 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.92 1.688 . . . . 0.0 114.327 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -49.52 -39.51 34.49 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.194 0.998 . . . . 0.0 112.474 167.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.1 t -91.5 -54.17 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 125.766 1.627 . . . . 0.0 109.908 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -65.34 101.31 0.55 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.104 0.962 . . . . 0.0 110.66 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.9 -54.26 47.26 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 126.12 1.768 . . . . 0.0 112.077 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -59.74 -32.21 70.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.223 1.409 . . . . 0.0 112.638 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.28 46.7 68.9 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.502 1.049 . . . . 0.0 113.098 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -83.37 -26.66 30.28 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.5 1.12 . . . . 0.0 112.162 179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 102.47 -52.14 0.84 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.071 1.319 . . . . 0.0 110.726 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.2 p -68.01 119.31 12.43 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.866 1.667 . . . . 0.0 109.704 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.1 mm -104.97 100.93 11.55 Favored 'Isoleucine or valine' 0 C--N 1.343 0.3 0 C-N-CA 125.07 1.348 . . . . 0.0 108.37 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.66 179.78 2.03 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.011 1.324 . . . . 0.0 111.469 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -54.29 -59.69 9.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 C-N-CA 125.177 1.391 . . . . 0.0 112.73 -176.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -60.84 -35.15 89.9 Favored 'Trans proline' 0 C--N 1.353 0.792 0 C-N-CA 122.897 2.398 . . . . 0.0 112.756 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.78 -36.43 84.3 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.874 0.87 . . . . 0.0 112.773 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -76.22 -44.15 38.95 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.659 0.663 . . . . 0.0 111.757 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.6 mp -55.92 -39.22 71.35 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.911 1.284 . . . . 0.0 111.436 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.7 m -59.52 -63.43 1.3 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.399 1.079 . . . . 0.0 109.383 169.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 ttt -32.13 -55.11 0.31 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 127.046 2.138 . . . . 0.0 114.615 -173.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.0 mmt -76.78 -60.25 2.43 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.202 1.001 . . . . 0.0 111.172 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.73 -59.61 2.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 -166.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -91.33 -49.95 6.07 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.239 1.015 . . . . 0.0 112.307 -174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.3 tttm 79.44 128.09 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.681 2.793 . . . . 0.0 111.83 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.7 tpt 76.64 117.06 0.06 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 127.917 2.487 . . . . 0.0 109.662 173.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -63.82 101.92 0.42 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 110.153 -175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -161.19 161.75 31.05 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.916 2.086 . . . . 0.0 109.27 -172.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.5 p -64.61 -63.99 0.99 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.167 0.987 . . . . 0.0 110.202 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -89.32 51.42 2.12 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.967 0.907 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 p -59.51 -40.68 87.85 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.687 1.595 . . . . 0.0 112.546 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.33 -34.16 72.01 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.706 1.202 . . . . 0.0 113.674 -175.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -68.16 -29.8 68.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.021 0.928 . . . . 0.0 112.067 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -51.81 -49.96 61.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.416 1.086 . . . . 0.0 110.432 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.12 -38.64 68.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.172 1.389 . . . . 0.0 112.178 174.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -67.3 -38.47 85.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.231 0.923 . . . . 0.0 112.337 176.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.03 -46.97 85.07 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.009 0.822 . . . . 0.0 110.759 172.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.59 -43.25 84.47 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.621 1.168 . . . . 0.0 112.194 176.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -65.59 -39.39 91.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.109 0.964 . . . . 0.0 111.308 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 16.6 mmm-85 -54.95 -43.34 73.33 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 123.954 0.901 . . . . 0.0 111.803 174.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 67.7 t -63.0 -40.35 88.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 124.814 1.246 . . . . 0.0 111.665 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -79.69 -72.82 0.38 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.043 0.937 . . . . 0.0 110.237 -178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -77.86 119.46 21.38 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.263 1.825 . . . . 0.0 109.426 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -73.59 -36.61 65.56 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.314 1.446 . . . . 0.0 112.679 -176.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -82.74 -46.76 12.75 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.444 1.098 . . . . 0.0 112.302 -176.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.44 73.91 1.03 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.078 0.847 . . . . 0.0 111.081 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 52.1 p-10 -128.99 8.03 5.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.053 1.741 . . . . 0.0 113.2 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 68.08 46.2 67.18 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-N 118.83 0.741 . . . . 0.0 111.629 -171.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -159.93 92.73 1.03 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.472 1.909 . . . . 0.0 107.811 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.2 mt -85.21 107.83 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 17.9 m -70.48 151.24 45.34 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.065 0.946 . . . . 0.0 111.461 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.44 95.55 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.85 -44.81 82.51 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.436 1.494 . . . . 0.0 112.204 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -64.25 -41.34 97.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.499 1.12 . . . . 0.0 111.619 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 39.8 mt -63.55 -40.53 97.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.629 1.172 . . . . 0.0 111.977 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -48.89 79.94 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.912 0.885 . . . . 0.0 110.865 169.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -61.04 -45.06 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.855 1.662 . . . . 0.0 113.143 -172.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -71.24 -35.41 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 124.272 1.029 . . . . 0.0 112.648 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 68.4 mtm -63.61 -45.49 90.09 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.43 1.014 . . . . 0.0 110.702 171.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 62.0 m -64.19 -30.09 71.17 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.937 1.295 . . . . 0.0 112.414 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -53.16 -41.74 65.47 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.619 1.568 . . . . 0.0 112.028 175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.5 -59.0 6.05 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.256 1.022 . . . . 0.0 109.424 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 141.2 49.91 0.05 OUTLIER Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.67 1.605 . . . . 0.0 110.674 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -141.2 88.21 2.14 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.933 1.293 . . . . 0.0 109.019 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -75.17 94.51 2.96 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.499 1.119 . . . . 0.0 108.524 166.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.2 mt -115.09 144.46 43.61 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.12 1.368 . . . . 0.0 108.845 173.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 58.7 p -52.56 105.24 0.11 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.813 2.045 . . . . 0.0 112.391 -167.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -60.28 -25.0 65.38 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.298 1.839 . . . . 0.0 115.215 -168.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -53.38 -29.71 36.03 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.695 1.198 . . . . 0.0 113.865 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.65 -35.4 78.81 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.187 0.995 . . . . 0.0 111.858 178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.2 t -55.03 -53.98 28.65 Favored 'Isoleucine or valine' 0 C--N 1.35 0.594 0 C-N-CA 124.518 1.127 . . . . 0.0 109.976 173.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -53.92 -39.01 65.46 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.427 1.091 . . . . 0.0 111.814 176.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -61.97 -54.97 34.32 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 123.852 0.861 . . . . 0.0 111.182 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -77.21 -7.42 55.85 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.6 mt -73.8 -58.67 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 162.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -55.12 -30.22 59.31 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -56.0 -23.95 35.92 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.2 50.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.422 1.089 . . . . 0.0 111.012 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -96.17 87.76 4.62 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 168.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.9 mt -65.08 -55.58 19.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.344 1.458 . . . . 0.0 110.971 -173.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.58 -57.71 9.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.185 0.994 . . . . 0.0 111.275 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.52 76.6 1.1 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.342 0.972 . . . . 0.0 110.973 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -145.16 43.59 1.32 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.707 1.203 . . . . 0.0 110.879 171.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.07 28.44 49.02 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 126.377 1.941 . . . . 0.0 114.321 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -146.15 172.87 12.78 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.636 1.575 . . . . 0.0 110.092 -169.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 60.9 t -134.81 108.12 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 124.726 1.211 . . . . 0.0 109.345 -176.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -78.74 176.34 9.61 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.764 1.626 . . . . 0.0 110.914 172.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -60.85 -49.8 76.01 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.256 -0.903 . . . . 0.0 111.487 175.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.95 -9.97 2.21 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.918 1.287 . . . . 0.0 114.206 176.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -103.49 -50.15 3.52 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.443 1.897 . . . . 0.0 110.023 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -51.89 -57.16 10.21 Favored 'General case' 0 C--N 1.349 0.549 0 C-N-CA 126.003 1.721 . . . . 0.0 111.206 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 50.4 t -58.25 -43.75 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.881 0.872 . . . . 0.0 110.439 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -70.51 -24.69 62.87 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.175 1.39 . . . . 0.0 114.062 -174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 6.2 mtp -60.66 -51.97 67.12 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.276 1.031 . . . . 0.0 109.702 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 5.4 mpp? -80.19 -10.98 59.78 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.715 1.206 . . . . 0.0 113.11 175.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 24.2 m -124.36 58.99 1.19 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 125.274 1.429 . . . . 0.0 107.831 174.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -78.57 70.78 4.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.762 0.825 . . . . 0.0 109.037 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? . . . . . 0 C--O 1.251 1.17 0 C-N-CA 125.918 1.687 . . . . 0.0 108.505 177.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.093 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m 70.53 -71.17 0.13 Allowed 'General case' 0 C--N 1.344 0.352 0 C-N-CA 127.451 2.3 . . . . 0.0 111.379 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -160.47 136.29 8.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.783 1.233 . . . . 0.0 109.12 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 160.62 30.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.962 0.905 . . . . 0.0 111.804 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -164.1 124.13 2.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.927 1.291 . . . . 0.0 110.034 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -137.06 171.22 14.82 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.137 2.175 . . . . 0.0 110.131 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -56.69 -33.88 66.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.535 1.134 . . . . 0.0 113.086 177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.2 t -63.63 -49.37 73.53 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.322 1.049 . . . . 0.0 110.84 175.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.08 -43.53 98.63 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.938 1.295 . . . . 0.0 111.663 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.5 t -55.02 -50.68 60.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.803 1.241 . . . . 0.0 110.547 172.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -68.71 -29.41 67.83 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.408 0.683 . . . . 0.0 112.52 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 53.4 mt -66.32 -46.75 75.82 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.137 0.975 . . . . 0.0 110.678 168.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.91 -41.84 78.84 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.314 1.046 . . . . 0.0 111.647 174.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 46.6 mtm -59.78 -59.84 4.78 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 123.721 0.809 . . . . 0.0 110.864 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.8 tp -61.31 -34.0 59.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-N 118.807 0.73 . . . . 0.0 112.446 -173.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.99 -56.74 11.36 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.121 1.369 . . . . 0.0 110.51 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.65 -21.86 64.43 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 6.6 t90 -60.42 -36.49 78.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.177 0.991 . . . . 0.0 110.654 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -60.22 -41.21 92.59 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.407 1.483 . . . . 0.0 111.941 170.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -61.37 -33.07 73.04 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.117 0.967 . . . . 0.0 112.231 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -50.88 71.07 Favored 'General case' 0 C--N 1.35 0.607 0 CA-C-N 119.465 1.03 . . . . 0.0 109.737 170.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 9.4 t -60.99 -43.28 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 123.657 0.783 . . . . 0.0 111.135 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -59.79 -54.67 43.53 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.362 0.665 . . . . 0.0 110.653 174.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -54.9 -52.37 63.1 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.615 1.166 . . . . 0.0 111.623 -177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -62.67 -56.8 14.38 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.711 1.205 . . . . 0.0 110.672 177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -118.57 84.32 2.16 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.173 1.789 . . . . 0.0 110.17 -169.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -159.63 99.72 1.43 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 166.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.049 1.739 . . . . 0.0 109.283 -163.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.1 0 N-CA-C 111.691 -0.563 . . . . 0.0 111.691 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 63.1 p -153.46 -70.64 0.14 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.48 1.112 . . . . 0.0 110.695 -176.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -64.67 121.73 15.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.434 1.093 . . . . 0.0 110.094 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 41.9 ttmt -74.98 114.67 13.73 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.673 1.189 . . . . 0.0 110.058 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -134.36 68.5 1.48 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.462 1.505 . . . . 0.0 109.003 175.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 70.9 p -92.74 168.5 11.16 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.453 1.101 . . . . 0.0 110.996 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -64.81 -41.57 95.68 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.18 1.392 . . . . 0.0 111.072 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.9 p -59.1 -41.23 87.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.461 1.505 . . . . 0.0 113.398 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -57.15 -41.16 78.63 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.833 0.853 . . . . 0.0 112.08 177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.24 -48.76 83.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 123.149 0.58 . . . . 0.0 111.01 175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -57.15 -39.74 75.83 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 122.909 0.483 . . . . 0.0 111.749 176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.29 -50.6 73.37 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.797 0.839 . . . . 0.0 111.329 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -69.11 -29.45 67.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.524 1.13 . . . . 0.0 112.837 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 13.3 tmm? -72.06 -36.4 69.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.908 1.283 . . . . 0.0 111.256 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 52.2 mt -65.98 -46.75 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 124.509 1.123 . . . . 0.0 109.843 168.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 59.0 m -55.06 -39.31 69.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.869 0.867 . . . . 0.0 112.068 173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -34.38 74.53 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.574 1.15 . . . . 0.0 112.294 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 48.8 m0 -63.75 -53.67 47.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.382 0.537 . . . . 0.0 110.389 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -52.26 -29.93 25.35 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.172 1.389 . . . . 0.0 112.7 173.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.29 -50.26 41.22 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.584 1.154 . . . . 0.0 111.223 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.2 -40.45 94.02 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.211 175.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 49.2 t -52.52 -50.84 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.383 1.073 . . . . 0.0 110.2 175.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -58.7 -46.53 87.09 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.942 1.297 . . . . 0.0 112.145 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -66.88 -48.11 69.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.012 1.325 . . . . 0.0 112.549 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -62.02 -62.15 1.99 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.96 1.704 . . . . 0.0 108.978 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -88.6 72.46 8.74 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.944 1.297 . . . . 0.0 108.777 175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -108.37 116.15 31.44 Favored 'General case' 0 C--N 1.344 0.351 0 C-N-CA 125.665 1.586 . . . . 0.0 107.913 172.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? . . . . . 0 C--O 1.251 1.168 0 CA-C-O 117.335 -1.317 . . . . 0.0 109.384 177.194 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.581 0.229 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -72.94 151.13 42.0 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.586 1.154 . . . . 0.0 111.563 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -115.7 100.61 8.15 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.477 1.511 . . . . 0.0 109.431 -178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -63.23 137.67 58.29 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.866 0.866 . . . . 0.0 109.361 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.1 m -139.18 144.01 38.37 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.82 1.248 . . . . 0.0 109.77 -170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.2 mp0 -77.77 -16.4 58.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.359 1.464 . . . . 0.0 114.008 -168.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -65.53 -40.83 93.36 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.365 0.984 . . . . 0.0 112.772 -174.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -70.03 -49.33 52.42 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.779 0.718 . . . . 0.0 112.023 -178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.5 pt -54.76 -35.86 34.7 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 CA-C-N 118.991 0.814 . . . . 0.0 111.596 174.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.88 -41.58 78.14 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.159 1.384 . . . . 0.0 112.247 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -51.08 -57.91 7.46 Favored 'General case' 0 C--N 1.347 0.472 0 C-N-CA 124.726 1.21 . . . . 0.0 110.607 174.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -60.81 -43.11 98.63 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.514 1.125 . . . . 0.0 112.709 -176.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -56.28 -59.56 4.78 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.833 0.742 . . . . 0.0 110.788 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.69 -43.8 76.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.334 1.054 . . . . 0.0 112.203 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.94 -50.94 60.19 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.903 1.281 . . . . 0.0 112.18 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -62.56 -48.33 79.96 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.554 1.142 . . . . 0.0 111.561 174.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.8 m -57.71 -33.54 68.51 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.392 1.477 . . . . 0.0 113.811 -175.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.6 mt -58.06 -41.87 84.28 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.204 1.001 . . . . 0.0 111.731 176.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.64 -55.8 9.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.257 1.023 . . . . 0.0 109.849 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -81.82 69.96 8.62 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.243 1.417 . . . . 0.0 109.919 -176.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -55.21 -44.99 75.89 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.677 1.591 . . . . 0.0 110.886 174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.61 -47.91 69.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.034 1.733 . . . . 0.0 111.937 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.63 -34.03 5.83 Favored Glycine 0 CA--C 1.533 1.205 0 C-N-CA 124.263 0.935 . . . . 0.0 113.069 176.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -48.2 -37.18 15.22 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.344 1.458 . . . . 0.0 112.99 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.38 64.42 1.12 Allowed Glycine 0 C--N 1.343 0.935 0 C-N-CA 125.104 1.335 . . . . 0.0 111.843 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.0 p -146.94 101.26 3.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.107 1.363 . . . . 0.0 108.618 170.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.0 mt -79.93 123.97 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -143.16 174.58 10.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.644 0.777 . . . . 0.0 111.37 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.5 p -58.1 -38.56 76.69 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.539 1.135 . . . . 0.0 112.091 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -61.33 -45.65 93.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.183 1.393 . . . . 0.0 111.77 174.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.6 -56.01 27.63 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.875 1.27 . . . . 0.0 110.515 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.96 -40.4 63.67 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.299 1.04 . . . . 0.0 111.721 173.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.95 -58.5 12.39 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.465 1.031 . . . . 0.0 111.365 175.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.4 m -60.16 -46.21 90.46 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.674 1.59 . . . . 0.0 112.768 -177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.8 t -56.36 -51.69 60.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.625 0 C-N-CA 124.463 1.105 . . . . 0.0 110.711 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.9 mmt -56.22 -47.92 77.47 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.543 1.137 . . . . 0.0 111.836 173.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.38 -57.27 11.93 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.927 1.691 . . . . 0.0 111.191 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.0 m -45.16 -57.98 3.55 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.127 1.771 . . . . 0.0 111.881 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 84.8 mt -54.72 -71.29 0.08 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.178 1.391 . . . . 0.0 110.608 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.97 55.7 0.01 OUTLIER Glycine 0 CA--C 1.532 1.132 0 C-N-CA 123.611 0.624 . . . . 0.0 112.257 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -146.66 147.37 30.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.751 1.621 . . . . 0.0 109.119 173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -120.28 92.88 47.75 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 125.008 1.323 . . . . 0.0 109.208 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -59.36 168.24 5.25 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 124.45 3.433 . . . . 0.0 115.396 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.8 p -98.7 116.85 31.84 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.569 1.548 . . . . 0.0 107.7 167.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -55.24 -39.8 70.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.088 1.755 . . . . 0.0 113.05 -171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.0 75.03 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.348 1.059 . . . . 0.0 112.183 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.15 -37.42 80.07 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.472 1.109 . . . . 0.0 112.061 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 56.0 mt -61.14 -35.02 75.95 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.158 0.983 . . . . 0.0 112.89 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -74.4 -51.43 15.02 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.077 0.853 . . . . 0.0 110.623 175.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -52.18 -55.67 19.53 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.131 1.372 . . . . 0.0 111.921 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.5 ptt? -57.11 -36.56 70.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.579 0.751 . . . . 0.0 112.854 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 26.6 mm -66.58 -54.75 22.67 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 123.608 0.763 . . . . 0.0 109.644 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -64.18 -19.57 65.42 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.888 1.275 . . . . 0.0 113.592 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.98 -51.4 55.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.646 1.178 . . . . 0.0 110.849 169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 18.8 t -79.92 -28.93 12.64 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 125.986 1.714 . . . . 0.0 112.125 -175.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -105.23 135.22 46.99 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 127.057 2.143 . . . . 0.0 110.442 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.41 -66.05 0.62 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.237 1.015 . . . . 0.0 112.371 -174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 45.6 p30 -64.1 -27.29 68.99 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 60.59 50.08 71.55 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 125.236 1.398 . . . . 0.0 113.414 169.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -79.69 -52.54 7.82 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.378 1.071 . . . . 0.0 110.225 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 133.6 -52.96 0.8 Allowed Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.577 1.56 . . . . 0.0 109.787 -173.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.6 p -72.33 124.04 24.28 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.818 1.247 . . . . 0.0 109.691 172.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.8 mm -116.68 101.7 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 126.355 1.862 . . . . 0.0 107.216 179.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -76.11 -172.17 1.94 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.638 1.575 . . . . 0.0 111.336 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -48.0 -68.88 0.28 Allowed Pre-proline 0 CA--C 1.542 0.659 0 C-N-CA 126.123 1.769 . . . . 0.0 112.694 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -57.61 -40.1 82.81 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.252 2.635 . . . . 0.0 112.024 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -61.67 -41.14 97.14 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.848 1.259 . . . . 0.0 112.2 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -70.75 -52.76 18.74 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 119.248 0.931 . . . . 0.0 110.801 175.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.1 mp -53.5 -32.09 48.81 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.571 1.148 . . . . 0.0 111.866 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.3 m -62.69 -68.28 0.35 Allowed 'General case' 0 C--N 1.346 0.454 0 C-N-CA 124.824 1.25 . . . . 0.0 109.642 166.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 67.5 mtp -39.65 -44.65 1.53 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.891 1.676 . . . . 0.0 113.644 -174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.5 mmt -68.92 -59.82 2.8 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.328 1.451 . . . . 0.0 111.871 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.17 -64.79 1.04 Allowed 'General case' 0 C--N 1.345 0.408 0 C-N-CA 124.377 1.071 . . . . 0.0 112.315 -171.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -53.84 7.1 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.553 1.141 . . . . 0.0 111.706 -169.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 75.8 tttt 84.23 121.38 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 128.408 2.683 . . . . 0.0 111.042 172.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.4 mtm 68.69 136.76 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.448 2.299 . . . . 0.0 111.423 -174.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -82.5 77.25 9.3 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.946 1.298 . . . . 0.0 110.117 -172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -141.89 -172.34 3.54 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -174.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 63.0 p -75.34 -87.05 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.985 1.314 . . . . 0.0 111.162 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.37 56.35 2.5 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.739 1.616 . . . . 0.0 111.136 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 74.7 m -72.05 -42.3 66.44 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.035 1.734 . . . . 0.0 111.931 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -57.8 -41.39 82.05 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.714 0.688 . . . . 0.0 111.895 172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -64.74 -31.55 72.83 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 111.933 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -58.95 -55.99 27.99 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.034 0.934 . . . . 0.0 109.959 173.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.0 mm -52.49 -37.91 25.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.325 1.05 . . . . 0.0 111.915 175.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -61.46 -34.59 75.7 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.729 0.812 . . . . 0.0 112.46 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.21 -50.65 67.22 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.92 0.888 . . . . 0.0 110.326 169.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.85 -37.93 64.14 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.328 1.051 . . . . 0.0 113.052 178.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.36 -67.73 0.23 Allowed 'General case' 0 C--N 1.349 0.578 0 C-N-CA 124.063 0.945 . . . . 0.0 110.367 170.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.9 ptm85 -61.8 -20.03 63.17 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -172.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 77.6 t -66.65 -52.15 48.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 119.66 1.118 . . . . 0.0 109.346 171.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -69.85 -39.32 76.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.827 1.251 . . . . 0.0 111.091 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.83 113.12 25.1 Favored 'General case' 0 C--N 1.342 0.257 0 C-N-CA 126.671 1.988 . . . . 0.0 109.114 -171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -85.55 50.22 1.92 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.416 1.086 . . . . 0.0 110.379 -176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -178.27 -55.2 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 127.857 2.463 . . . . 0.0 109.606 -177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 73.9 59.67 3.93 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.403 1.478 . . . . 0.0 112.61 175.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 48.1 p-10 -102.6 9.14 39.54 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.646 1.578 . . . . 0.0 113.094 174.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 71.48 47.99 32.19 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 124.413 1.006 . . . . 0.0 112.47 -179.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -158.0 89.76 1.02 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.012 1.725 . . . . 0.0 107.107 178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 mt -78.33 99.21 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.975 0.91 . . . . 0.0 109.094 -176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.3 t -66.07 151.99 45.66 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.946 0.898 . . . . 0.0 111.094 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.04 -38.15 67.62 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.344 1.058 . . . . 0.0 111.132 170.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.76 -55.63 31.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.603 1.561 . . . . 0.0 111.402 172.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -54.39 -43.38 71.39 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.656 1.582 . . . . 0.0 112.246 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.9 mt -62.99 -58.38 7.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.112 0.965 . . . . 0.0 110.275 174.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -51.43 -32.91 28.38 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.188 0.995 . . . . 0.0 112.802 177.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -63.14 -62.26 1.82 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.792 1.237 . . . . 0.0 110.03 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.4 p -62.6 -31.28 51.51 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 123.266 0.626 . . . . 0.0 112.648 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 7.6 mmt -58.73 -55.78 30.64 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.011 1.324 . . . . 0.0 110.817 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 94.7 m -64.35 -34.64 78.62 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.938 1.295 . . . . 0.0 112.406 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -51.82 -36.18 47.07 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.759 1.224 . . . . 0.0 113.002 175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.67 -53.29 35.33 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.657 0.783 . . . . 0.0 110.221 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 132.42 57.76 0.08 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 126.354 1.931 . . . . 0.0 109.317 179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -135.25 91.65 2.76 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 125.647 1.579 . . . . 0.0 107.848 -177.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -87.41 55.72 3.65 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.255 1.422 . . . . 0.0 109.291 -178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.4 mt -82.27 132.82 35.23 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.529 1.531 . . . . 0.0 108.895 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 72.9 p -62.98 143.91 57.32 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.611 1.164 . . . . 0.0 111.99 -173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -68.43 -18.14 64.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -172.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -59.86 -25.15 64.81 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.016 0.926 . . . . 0.0 113.143 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.59 -62.52 1.61 Allowed 'General case' 0 C--N 1.35 0.611 0 CA-C-N 118.809 0.732 . . . . 0.0 109.865 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.5 p -61.9 -42.82 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 123.803 0.841 . . . . 0.0 112.934 -173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -51.05 -43.09 60.88 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.809 1.244 . . . . 0.0 112.36 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -68.12 -53.32 26.18 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.184 1.394 . . . . 0.0 111.304 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -72.26 -21.13 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 -178.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 47.0 mt -60.5 -60.92 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -51.61 -26.08 8.18 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.813 1.645 . . . . 0.0 115.016 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -58.56 -39.21 79.64 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.254 0.934 . . . . 0.0 112.832 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.32 65.02 0.95 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.947 0.899 . . . . 0.0 110.309 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -123.96 91.85 3.55 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.57 1.948 . . . . 0.0 106.845 171.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.67 -59.91 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 125.865 1.666 . . . . 0.0 111.836 -164.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -53.66 -54.74 33.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.967 1.307 . . . . 0.0 111.959 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 79.16 90.52 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.557 -1.017 . . . . 0.0 110.557 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.0 p30 -153.18 32.72 0.47 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.815 1.246 . . . . 0.0 111.743 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.91 -61.47 4.07 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.46 1.028 . . . . 0.0 110.945 -169.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -71.73 172.94 8.87 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.63 1.572 . . . . 0.0 112.964 -173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.0 t -127.3 108.4 18.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 125.633 1.573 . . . . 0.0 108.805 -178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -75.13 -175.36 2.61 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.847 1.659 . . . . 0.0 111.378 177.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -66.58 -52.07 49.49 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.134 1.374 . . . . 0.0 111.312 178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.74 10.0 0.23 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.631 1.173 . . . . 0.0 113.791 174.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.34 -43.91 2.5 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.037 1.735 . . . . 0.0 110.021 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.15 -53.45 12.66 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 126.599 1.96 . . . . 0.0 111.397 -175.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.52 -51.96 61.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 C-N-CA 123.727 0.811 . . . . 0.0 109.316 175.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -52.18 -26.68 12.11 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.39 1.876 . . . . 0.0 113.083 176.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 39.8 tpp -52.05 -47.95 64.85 Favored 'General case' 0 C--N 1.348 0.518 0 C-N-CA 125.737 1.615 . . . . 0.0 111.217 174.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -77.59 -26.69 50.96 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.976 1.31 . . . . 0.0 113.379 -176.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 13.2 t -124.87 44.83 2.68 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.85 1.26 . . . . 0.0 110.847 -175.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' HB3' HE22 ' C' ' 11' ' ' GLN . . . -78.2 135.97 37.71 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.614 0.766 . . . . 0.0 110.478 -176.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.251 1.183 0 CA-C-O 116.826 -1.559 . . . . 0.0 111.499 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.135 0 N-CA-C 112.13 -0.388 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p -72.79 -75.64 0.14 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.567 1.147 . . . . 0.0 110.437 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -156.78 68.34 0.57 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.386 1.074 . . . . 0.0 109.169 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -116.44 151.06 36.8 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.638 1.975 . . . . 0.0 109.067 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.09 154.14 46.95 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.114 1.366 . . . . 0.0 110.944 175.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -149.36 151.97 35.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.539 1.536 . . . . 0.0 109.825 -173.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -57.7 -37.32 73.3 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.304 1.042 . . . . 0.0 112.085 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.6 p -55.54 -53.58 54.68 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.106 0.963 . . . . 0.0 110.803 173.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -56.73 -50.27 72.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.144 0.978 . . . . 0.0 112.218 175.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -55.56 -48.11 77.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 123.793 0.837 . . . . 0.0 111.029 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.56 -40.12 96.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.201 1.001 . . . . 0.0 111.65 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.47 -42.07 91.23 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.986 0.914 . . . . 0.0 111.243 174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -62.61 -45.2 93.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.089 0.956 . . . . 0.0 111.975 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.9 mtm -58.17 -60.83 3.14 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.784 0.834 . . . . 0.0 111.244 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.8 tp -63.31 -39.23 84.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 C-N-CA 124.882 1.273 . . . . 0.0 112.333 -173.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 49.8 m -58.84 -48.81 80.02 Favored 'General case' 0 C--N 1.347 0.458 0 C-N-CA 124.074 0.95 . . . . 0.0 110.769 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.3 -23.32 66.99 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.237 0.615 . . . . 0.0 112.659 175.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -67.59 -43.94 79.3 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.91 1.284 . . . . 0.0 110.697 178.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -52.38 -45.42 65.78 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.411 0.684 . . . . 0.0 110.972 166.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 tmtm? -59.46 -35.87 74.88 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.223 1.409 . . . . 0.0 112.084 -177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -50.57 72.25 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 123.257 0.623 . . . . 0.0 110.795 173.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.3 t -58.89 -46.05 91.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.136 0.574 . . . . 0.0 110.371 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.86 -55.76 15.49 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.966 1.306 . . . . 0.0 110.642 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -55.01 -37.67 66.92 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.487 1.515 . . . . 0.0 112.77 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.49 -54.32 17.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.406 1.082 . . . . 0.0 110.612 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -99.15 69.55 1.73 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.469 1.508 . . . . 0.0 109.586 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -111.21 39.17 2.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.642 1.177 . . . . 0.0 110.776 179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 C--O 1.25 1.118 0 C-N-CA 125.427 1.491 . . . . 0.0 109.031 -178.427 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 32.5 t -81.5 -67.77 0.75 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.646 1.179 . . . . 0.0 109.712 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -86.17 141.64 29.2 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.115 1.366 . . . . 0.0 110.259 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -63.32 143.65 57.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.78 1.232 . . . . 0.0 111.758 -177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 tptp -126.05 140.63 52.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.861 1.664 . . . . 0.0 109.859 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.8 p -95.15 155.73 16.61 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.32 1.448 . . . . 0.0 111.016 177.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.8 -38.15 58.45 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.083 1.353 . . . . 0.0 112.499 179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.4 t -52.11 -52.52 50.96 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.909 1.683 . . . . 0.0 111.751 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -52.9 -38.02 61.26 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.715 1.606 . . . . 0.0 113.158 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 30.2 t -56.25 -54.61 25.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-N 118.845 0.748 . . . . 0.0 110.178 -179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . 0.424 HE22 ' HB3' ' A' ' 147' ' ' ALA . 1.9 mp0 -64.55 -42.34 95.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.795 0.838 . . . . 0.0 112.635 175.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.39 -49.54 77.17 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.945 0.793 . . . . 0.0 111.143 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -71.3 -29.5 65.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.158 1.783 . . . . 0.0 112.659 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 67.2 ttp -65.48 -43.52 89.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.527 0.731 . . . . 0.0 110.684 170.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -63.04 -40.42 88.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 124.18 0.992 . . . . 0.0 110.399 175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 39.0 m -55.57 -46.38 77.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.707 0.803 . . . . 0.0 110.938 172.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.5 -43.46 98.82 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.518 1.127 . . . . 0.0 112.162 175.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.5 m0 -55.83 -52.55 63.61 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.03 0.932 . . . . 0.0 111.279 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -52.86 -44.48 66.83 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.651 1.18 . . . . 0.0 111.376 172.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -63.82 -42.64 97.62 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.974 1.31 . . . . 0.0 112.682 -173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -60.28 -39.09 85.64 Favored 'General case' 0 C--N 1.348 0.516 0 CA-C-N 119.924 1.238 . . . . 0.0 112.106 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.3 t -66.36 -47.59 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 C-N-CA 124.045 0.938 . . . . 0.0 110.1 175.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -48.96 -50.24 36.53 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.543 1.537 . . . . 0.0 111.735 175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -69.62 -59.19 3.12 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.478 1.511 . . . . 0.0 111.168 -178.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 50.8 tptt -60.67 -55.41 33.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.747 2.019 . . . . 0.0 112.05 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tttm -117.86 83.35 1.98 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.325 1.85 . . . . 0.0 107.594 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -92.32 101.72 14.21 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.154 1.382 . . . . 0.0 110.65 -168.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp . . . . . 0 C--O 1.251 1.15 0 C-N-CA 125.742 1.617 . . . . 0.0 108.567 175.052 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 111.636 0.235 . . . . 0.0 111.636 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -157.55 142.44 16.72 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.996 1.319 . . . . 0.0 110.021 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 66.15 96.1 0.05 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 127.243 2.217 . . . . 0.0 110.381 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.72 177.05 6.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.563 1.945 . . . . 0.0 111.441 -173.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.5 m -65.24 144.25 57.29 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.656 1.582 . . . . 0.0 110.689 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -84.47 21.25 1.5 Allowed 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.006 1.323 . . . . 0.0 113.994 -168.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -52.67 21.07 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.965 0.906 . . . . 0.0 110.75 177.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -54.61 -47.03 73.89 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.352 1.061 . . . . 0.0 111.705 178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 95.0 mt -53.21 -59.92 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.666 1.586 . . . . 0.0 109.778 176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -38.84 71.02 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.755 1.222 . . . . 0.0 112.728 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -70.21 -47.51 61.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.18 1.392 . . . . 0.0 112.105 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -67.16 -35.69 80.22 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.625 0.77 . . . . 0.0 111.93 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.13 -51.62 68.95 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.828 0.851 . . . . 0.0 110.782 169.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -55.37 -53.0 61.68 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.098 1.359 . . . . 0.0 110.891 176.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.04 -46.96 75.35 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.765 1.626 . . . . 0.0 112.635 -177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -68.84 -44.73 72.81 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.533 0.733 . . . . 0.0 111.575 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.5 t -57.86 -49.57 76.24 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.943 1.297 . . . . 0.0 112.382 -177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -50.28 -53.21 30.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.095 1.358 . . . . 0.0 111.148 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.27 -46.73 79.3 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.554 0.742 . . . . 0.0 111.408 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -77.94 82.25 4.31 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.702 1.601 . . . . 0.0 109.538 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -62.39 -43.96 97.59 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.032 1.733 . . . . 0.0 112.693 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -61.94 -56.92 14.27 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.21 1.004 . . . . 0.0 111.33 -176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.25 -34.87 3.11 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.566 1.079 . . . . 0.0 112.494 -176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -48.0 -32.22 6.31 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.324 1.849 . . . . 0.0 114.959 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.43 49.3 3.97 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.579 1.085 . . . . 0.0 112.019 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.6 p -149.36 127.13 11.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.29 2.236 . . . . 0.0 107.239 167.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.6 mt -111.53 73.42 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.6 t -71.22 165.03 24.49 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.061 0.944 . . . . 0.0 111.931 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 53.6 p -54.14 -31.49 52.59 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.785 1.634 . . . . 0.0 113.706 -178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -65.62 -49.18 69.66 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.024 1.329 . . . . 0.0 109.789 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.1 tt0 -57.55 -41.64 81.39 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.52 1.128 . . . . 0.0 111.818 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.37 -50.35 69.92 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.484 0.714 . . . . 0.0 110.619 170.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.6 -45.94 66.98 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.777 1.179 . . . . 0.0 112.65 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 31.4 m -58.47 -54.98 40.92 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.805 1.242 . . . . 0.0 111.188 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.65 -49.94 80.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 124.937 1.295 . . . . 0.0 110.85 -177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 86.4 mmm -59.98 -50.39 73.93 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.954 0.902 . . . . 0.0 111.263 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -60.3 -48.28 82.4 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.017 1.327 . . . . 0.0 111.502 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.5 t -47.04 -48.05 22.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.727 1.611 . . . . 0.0 112.364 -179.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt -57.18 -68.31 0.24 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.236 1.014 . . . . 0.0 109.889 170.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 154.26 49.41 0.01 OUTLIER Glycine 0 CA--C 1.533 1.205 0 C-N-CA 125.237 1.399 . . . . 0.0 111.064 176.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -143.97 118.85 9.93 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.502 1.521 . . . . 0.0 108.582 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -103.64 93.14 4.76 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.866 1.266 . . . . 0.0 110.326 -176.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.49 157.15 36.61 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.418 2.745 . . . . 0.0 112.248 178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.4 p -91.26 126.33 36.31 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.998 1.719 . . . . 0.0 108.591 173.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.52 -40.04 77.89 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.975 1.31 . . . . 0.0 114.039 -168.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -50.21 -34.0 21.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.796 1.238 . . . . 0.0 113.651 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -74.22 -49.48 23.23 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.032 1.333 . . . . 0.0 110.535 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.9 mt -56.05 -37.99 70.0 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.071 1.349 . . . . 0.0 111.842 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -63.42 -60.56 3.21 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.841 1.256 . . . . 0.0 110.154 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -59.15 -52.16 66.9 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.27 1.028 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.2 ptt? -50.83 -37.44 43.0 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 96.6 mt -73.05 -50.8 29.66 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 125.833 1.653 . . . . 0.0 110.048 174.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.6 -13.14 28.04 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.89 1.676 . . . . 0.0 114.483 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.95 -62.84 1.58 Allowed 'General case' 0 C--N 1.348 0.518 0 CA-C-N 120.089 1.313 . . . . 0.0 109.615 164.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.8 t -72.75 -44.17 59.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 123.978 0.911 . . . . 0.0 111.299 -173.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.85 94.61 0.63 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 170.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.81 92.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.338 1.455 . . . . 0.0 111.238 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -54.6 -50.85 67.07 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.879 1.672 . . . . 0.0 111.198 166.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.0 63.22 3.75 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.449 1.023 . . . . 0.0 112.14 170.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -77.47 -57.42 3.83 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.303 1.041 . . . . 0.0 109.541 174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.4 -51.81 0.64 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 -172.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 71.9 p -60.99 144.8 52.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.02 1.328 . . . . 0.0 110.462 168.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 tp -118.1 85.79 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -66.46 174.75 2.57 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.39 1.076 . . . . 0.0 110.958 -172.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -50.24 -59.73 6.57 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 124.279 1.031 . . . . 0.0 112.036 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -64.29 -32.89 61.14 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 122.668 2.245 . . . . 0.0 112.433 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -67.42 -36.41 81.19 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.68 0.673 . . . . 0.0 112.247 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -70.55 -48.58 54.69 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.357 1.063 . . . . 0.0 110.747 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -50.01 -42.68 49.79 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.913 1.685 . . . . 0.0 111.45 169.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.3 m -62.87 -75.01 0.08 Allowed 'General case' 0 C--N 1.347 0.477 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 172.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ttm -24.78 -57.67 0.05 Allowed 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 128.956 2.903 . . . . 0.0 114.027 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.3 mmt -71.17 -68.31 0.45 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 111.4 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.29 -61.17 1.88 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.904 0.881 . . . . 0.0 112.299 -169.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -74.55 -60.99 2.03 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.554 1.542 . . . . 0.0 110.612 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 80.5 tttt 78.71 115.72 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 129.104 2.962 . . . . 0.0 111.415 -174.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.5 ttt 78.0 146.61 0.09 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 127.589 2.356 . . . . 0.0 111.476 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.07 67.53 9.76 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.904 1.282 . . . . 0.0 110.187 -164.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -132.81 179.29 6.25 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.909 1.684 . . . . 0.0 110.739 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.2 p -77.86 -74.06 0.28 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.314 1.045 . . . . 0.0 109.6 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -83.0 70.14 9.95 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.257 1.423 . . . . 0.0 108.115 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.4 m -92.22 -34.88 14.1 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.2 1.8 . . . . 0.0 110.927 -175.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -35.46 74.01 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.855 0.462 . . . . 0.0 111.165 166.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -68.71 -37.76 79.74 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.963 1.305 . . . . 0.0 111.467 172.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.94 -42.12 75.67 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.9 0.88 . . . . 0.0 111.669 175.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.7 mm -62.81 -49.31 84.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.677 0.791 . . . . 0.0 110.76 172.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.9 mtp85 -55.67 -29.22 58.98 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -59.53 -62.99 1.47 Allowed 'General case' 0 C--N 1.345 0.397 0 CA-C-N 118.819 0.736 . . . . 0.0 110.184 169.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.43 -36.39 61.49 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.632 1.173 . . . . 0.0 112.904 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -62.49 -44.04 97.36 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.769 1.628 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.8 mtt85 -72.44 -30.06 64.26 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.562 1.545 . . . . 0.0 113.043 174.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 61.9 t -60.21 -37.56 73.99 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 119.567 1.076 . . . . 0.0 110.634 170.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.3 m-30 -69.34 -55.6 9.96 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.677 0.791 . . . . 0.0 110.793 175.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -89.35 137.77 32.03 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.874 1.27 . . . . 0.0 111.956 -166.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.9 mmmt -87.08 14.37 7.67 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.966 1.306 . . . . 0.0 112.313 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -150.93 -51.46 0.13 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.203 1.401 . . . . 0.0 110.255 171.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.09 79.69 0.42 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 125.138 1.351 . . . . 0.0 111.626 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.8 p-10 -113.4 47.67 1.12 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.006 1.723 . . . . 0.0 111.411 -176.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.41 38.01 49.76 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.829 1.204 . . . . 0.0 112.474 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -166.12 130.49 2.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.378 1.871 . . . . 0.0 108.704 -170.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 45.0 mt -110.1 108.29 25.03 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 125.423 1.489 . . . . 0.0 108.113 176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.3 p -72.1 152.7 42.16 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.643 0.777 . . . . 0.0 110.989 172.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.11 -44.69 71.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.178 0.991 . . . . 0.0 111.822 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.11 -43.3 70.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.541 1.536 . . . . 0.0 113.029 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -67.86 -39.61 83.76 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.361 1.064 . . . . 0.0 111.766 174.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -44.74 76.23 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.212 1.405 . . . . 0.0 111.552 -175.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -67.62 -32.69 73.57 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 118.28 -0.867 . . . . 0.0 112.625 173.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -61.93 -53.69 52.21 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-N 119.766 1.166 . . . . 0.0 111.77 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.0 p -60.71 -33.6 55.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.382 0.673 . . . . 0.0 112.764 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.5 mtt -68.42 -53.84 21.0 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.502 1.121 . . . . 0.0 110.728 173.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.7 m -57.14 -35.62 69.72 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.107 1.763 . . . . 0.0 112.288 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -48.66 -53.26 19.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.8 1.64 . . . . 0.0 111.563 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.5 mp -81.74 -62.43 1.64 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.852 1.261 . . . . 0.0 109.901 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.28 -65.37 3.32 Favored Glycine 0 C--N 1.343 0.966 0 C-N-CA 125.768 1.652 . . . . 0.0 112.988 -169.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 80.77 110.34 0.07 Allowed 'General case' 0 C--N 1.345 0.377 0 C-N-CA 127.176 2.191 . . . . 0.0 109.948 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp 61.45 89.99 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.985 2.114 . . . . 0.0 110.758 -176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.41 151.67 39.58 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.994 1.718 . . . . 0.0 110.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.3 p -67.38 124.84 24.29 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.536 1.134 . . . . 0.0 112.141 -165.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.29 -30.53 25.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.252 1.821 . . . . 0.0 113.107 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -60.87 -32.96 72.38 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.581 0.753 . . . . 0.0 112.208 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.93 -46.22 88.79 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.906 1.282 . . . . 0.0 110.949 168.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.91 -33.58 61.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.679 1.192 . . . . 0.0 111.866 179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -74.37 -39.3 62.82 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.728 1.211 . . . . 0.0 112.175 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -56.89 -45.84 82.28 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.508 1.123 . . . . 0.0 111.834 173.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.4 mtt -47.03 -44.17 20.37 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.238 1.015 . . . . 0.0 112.118 177.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 78.0 mt -68.51 -60.18 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 124.82 1.248 . . . . 0.0 109.245 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.4 mtp-105 -51.7 -42.2 62.04 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.442 1.497 . . . . 0.0 113.329 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -48.53 -31.13 6.01 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.87 1.668 . . . . 0.0 113.259 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -150.07 66.08 0.97 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.492 0.717 . . . . 0.0 109.918 168.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -93.91 138.35 32.14 Favored 'General case' 0 C--N 1.345 0.372 0 C-N-CA 124.739 1.216 . . . . 0.0 109.872 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 78.5 mt -115.56 -57.59 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.649 1.58 . . . . 0.0 109.062 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -60.96 -73.32 0.1 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.669 1.188 . . . . 0.0 112.294 -174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 164.98 46.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.361 -0.689 . . . . 0.0 112.599 175.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 t70 49.0 54.22 11.27 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.654 1.582 . . . . 0.0 112.127 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -110.96 -80.55 1.12 Allowed Glycine 0 C--N 1.342 0.882 0 N-CA-C 108.419 -1.873 . . . . 0.0 108.419 177.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -127.19 152.32 47.52 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.835 1.254 . . . . 0.0 109.246 164.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 92.9 t -89.09 104.23 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 125.95 1.7 . . . . 0.0 108.817 -174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -69.88 168.26 15.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.793 1.237 . . . . 0.0 110.884 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -59.22 -47.73 84.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.69 0.796 . . . . 0.0 111.36 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -48.82 -55.53 11.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.109 1.764 . . . . 0.0 111.069 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.93 -45.11 93.63 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.211 1.004 . . . . 0.0 111.386 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -57.85 -43.67 86.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.273 1.429 . . . . 0.0 112.091 -178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.0 t -62.34 -53.35 48.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 C-N-CA 123.908 0.883 . . . . 0.0 109.13 172.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -77.87 26.24 0.19 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 28.0 mtp -108.07 -49.82 3.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.552 1.941 . . . . 0.0 107.699 165.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -84.88 0.74 50.0 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.852 1.661 . . . . 0.0 112.595 174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.9 m -147.37 46.92 1.13 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.083 1.753 . . . . 0.0 108.94 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.92 104.32 16.14 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.727 1.211 . . . . 0.0 108.475 178.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? . . . . . 0 C--O 1.251 1.133 0 C-N-CA 124.918 1.287 . . . . 0.0 108.945 -177.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 111.798 -0.521 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -76.2 159.92 30.2 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.879 1.272 . . . . 0.0 111.223 177.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -99.2 146.52 26.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.571 1.549 . . . . 0.0 109.964 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.23 153.17 19.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.584 1.154 . . . . 0.0 111.255 -178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -106.25 98.06 7.79 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.382 1.873 . . . . 0.0 108.761 -176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 70.4 p -124.66 162.54 23.93 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.499 1.919 . . . . 0.0 110.911 -177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -55.42 -38.92 69.59 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.029 0.932 . . . . 0.0 112.062 172.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -63.9 -47.3 81.16 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.781 1.232 . . . . 0.0 110.865 176.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -58.24 -46.17 86.43 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.633 1.173 . . . . 0.0 111.814 176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 61.2 t -55.76 -47.33 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 124.334 1.054 . . . . 0.0 111.03 174.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -66.43 -34.14 77.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.89 0.876 . . . . 0.0 112.345 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.66 -47.2 61.14 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.449 1.1 . . . . 0.0 110.126 176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -52.11 -47.35 65.32 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 124.885 1.274 . . . . 0.0 111.642 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.2 ttm -54.51 -64.27 0.89 Allowed 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.414 1.085 . . . . 0.0 110.151 174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.81 -33.84 50.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 C-N-CA 124.182 0.993 . . . . 0.0 112.795 -171.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.5 -55.88 17.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.045 1.338 . . . . 0.0 110.157 175.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.08 66.68 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.757 1.223 . . . . 0.0 113.137 177.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -62.43 -33.03 74.0 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.373 1.469 . . . . 0.0 111.352 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -62.36 -46.69 87.54 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.998 1.319 . . . . 0.0 111.184 173.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -56.75 -41.95 78.45 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.297 1.039 . . . . 0.0 112.454 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -52.11 66.96 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 120.065 1.302 . . . . 0.0 110.823 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 59.2 t -59.47 -51.09 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.071 1.348 . . . . 0.0 109.698 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -50.27 -45.96 54.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.904 1.681 . . . . 0.0 112.466 175.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -62.53 -41.12 98.65 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.653 0.661 . . . . 0.0 111.676 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -70.95 -17.61 62.67 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.156 0.982 . . . . 0.0 112.575 174.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -132.8 71.83 1.48 Allowed 'General case' 0 C--N 1.347 0.492 0 C-N-CA 125.918 1.687 . . . . 0.0 109.584 -168.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -150.1 46.55 0.91 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.305 1.842 . . . . 0.0 108.603 169.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 C--O 1.252 1.194 0 C-N-CA 125.487 1.515 . . . . 0.0 109.122 -166.439 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.003 0 N-CA-C 111.744 -0.542 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -74.38 -67.86 0.58 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.91 1.284 . . . . 0.0 109.894 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -159.63 112.66 2.19 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.208 1.403 . . . . 0.0 108.078 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -103.99 172.62 6.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.571 1.548 . . . . 0.0 111.995 178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.18 167.76 21.64 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.079 2.152 . . . . 0.0 109.903 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 80.9 p -135.47 157.65 46.35 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.254 1.422 . . . . 0.0 110.053 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -60.85 -55.46 32.82 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.108 0.963 . . . . 0.0 111.359 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 32.6 t -51.96 -43.79 63.68 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.594 . . . . 0.0 112.815 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -53.3 -55.33 25.54 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.092 1.357 . . . . 0.0 111.451 176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -52.47 -48.28 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.793 1.237 . . . . 0.0 111.769 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -38.22 72.31 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.372 1.469 . . . . 0.0 112.53 -177.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -62.66 -41.13 98.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.409 0.684 . . . . 0.0 111.543 171.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -70.29 -21.97 62.9 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.049 0.94 . . . . 0.0 112.526 173.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -71.67 -36.92 70.79 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.272 1.029 . . . . 0.0 110.755 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 76.8 mt -63.83 -32.8 58.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 123.911 0.884 . . . . 0.0 111.565 170.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 25.2 m -61.64 -45.48 93.86 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.121 0.873 . . . . 0.0 110.431 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.03 80.84 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.869 1.267 . . . . 0.0 112.815 175.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -58.13 -57.07 14.45 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.662 0.785 . . . . 0.0 110.967 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -51.3 -37.03 45.29 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.449 1.1 . . . . 0.0 111.443 173.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -65.51 -52.31 53.59 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.889 1.276 . . . . 0.0 112.51 -177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.39 -39.43 87.31 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-N 119.095 0.862 . . . . 0.0 111.998 -176.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -66.64 -46.24 86.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.664 0.786 . . . . 0.0 110.227 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -53.82 -44.54 70.31 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.206 1.402 . . . . 0.0 111.081 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -64.65 -41.06 96.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.359 1.464 . . . . 0.0 112.362 176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 37.1 ttpt -70.08 -42.48 72.72 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.19 0.996 . . . . 0.0 111.928 -178.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -59.66 4.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.402 1.881 . . . . 0.0 111.384 177.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.23 143.51 52.15 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.551 0.74 . . . . 0.0 110.057 175.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.142 0 C-N-CA 126.713 2.005 . . . . 0.0 111.342 -169.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 120.535 0.207 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -141.37 -59.31 0.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.939 1.296 . . . . 0.0 109.864 -175.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 63.89 82.15 0.19 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.694 1.598 . . . . 0.0 110.154 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.61 163.85 24.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.289 1.436 . . . . 0.0 110.497 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.0 m -149.79 153.82 37.44 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.31 1.044 . . . . 0.0 109.823 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.12 7.99 1.46 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.531 1.532 . . . . 0.0 114.654 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -63.75 -48.49 76.78 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.706 1.202 . . . . 0.0 111.339 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -63.95 -34.4 77.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.161 0.985 . . . . 0.0 112.564 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.43 -47.34 92.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 123.882 0.873 . . . . 0.0 109.763 174.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -39.07 88.95 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.324 1.05 . . . . 0.0 111.503 175.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -57.88 -53.58 56.65 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.604 1.562 . . . . 0.0 111.008 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.66 -33.93 76.05 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.06 0.944 . . . . 0.0 112.548 177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.2 tptt -55.67 -57.8 10.45 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.768 0.827 . . . . 0.0 109.902 171.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -57.79 -43.66 85.76 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.987 1.715 . . . . 0.0 112.267 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -52.07 -51.38 57.97 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.937 1.295 . . . . 0.0 111.784 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.95 -52.31 57.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.581 1.152 . . . . 0.0 111.277 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.0 t -57.17 -37.51 72.21 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.254 1.421 . . . . 0.0 113.533 -173.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 tt -55.05 -43.98 74.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.231 1.412 . . . . 0.0 111.107 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -74.9 -49.75 19.26 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.252 1.021 . . . . 0.0 110.528 171.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -82.4 75.22 9.32 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.348 1.459 . . . . 0.0 110.261 -174.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -71.95 -43.41 65.25 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.216 1.007 . . . . 0.0 110.361 168.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -47.99 -32.69 6.83 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.552 1.941 . . . . 0.0 113.282 -176.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.47 -41.5 2.23 Favored Glycine 0 C--N 1.344 1.016 0 CA-C-O 119.094 -0.837 . . . . 0.0 113.59 164.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -51.58 -28.65 14.65 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.291 1.436 . . . . 0.0 114.446 -173.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.23 37.68 3.04 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 125.425 1.488 . . . . 0.0 112.846 170.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.4 p -142.51 153.97 44.09 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.206 1.802 . . . . 0.0 108.636 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.3 mt -130.99 78.74 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 t -73.59 178.68 4.54 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.219 0.608 . . . . 0.0 111.744 179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -50.15 -48.91 53.54 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.728 1.611 . . . . 0.0 112.051 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.41 -59.72 4.3 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.744 1.618 . . . . 0.0 110.77 174.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -56.79 -48.63 77.5 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.383 1.473 . . . . 0.0 112.436 -176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.59 -51.59 64.82 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.548 1.539 . . . . 0.0 110.17 176.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.65 -44.34 79.34 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 124.898 1.237 . . . . 0.0 112.62 175.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.1 m -60.89 -43.81 97.96 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.777 1.231 . . . . 0.0 111.735 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.5 t -54.47 -50.53 57.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 123.299 0.64 . . . . 0.0 110.399 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.7 mmm -67.71 -26.28 66.08 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.716 1.206 . . . . 0.0 113.813 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.7 tpp85 -61.25 -59.09 5.85 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 111.117 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.0 t -50.17 -52.45 35.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.028 1.731 . . . . 0.0 111.413 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -51.04 69.94 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.639 1.575 . . . . 0.0 111.602 -175.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 172.24 66.3 0.04 OUTLIER Glycine 0 C--N 1.342 0.91 0 CA-C-O 119.644 -0.531 . . . . 0.0 112.234 174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 64.31 172.35 0.19 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.974 1.71 . . . . 0.0 114.126 168.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -156.27 126.64 3.39 Favored Pre-proline 0 CA--C 1.546 0.789 0 C-N-CA 125.028 1.331 . . . . 0.0 109.445 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -55.96 -166.74 0.02 OUTLIER 'Trans proline' 0 CA--C 1.544 0.993 1 C-N-CA 125.452 4.102 . . . . 0.0 115.208 171.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -53.65 128.91 31.16 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.931 1.693 . . . . 0.0 112.092 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -72.65 -9.62 58.82 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -171.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.0 -41.06 82.26 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.967 0.803 . . . . 0.0 111.342 170.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -59.83 -39.49 85.29 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.642 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.09 -30.59 69.34 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.435 1.494 . . . . 0.0 113.098 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -71.88 -62.11 1.54 Allowed 'General case' 0 C--N 1.345 0.387 0 CA-C-N 119.165 0.893 . . . . 0.0 109.321 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -44.45 -59.28 2.5 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.102 1.761 . . . . 0.0 112.395 -176.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -48.73 -39.78 26.08 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.823 1.249 . . . . 0.0 113.562 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.1 mm -71.14 -58.11 6.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 124.13 0.972 . . . . 0.0 109.639 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.12 -18.4 64.39 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.247 1.419 . . . . 0.0 113.805 -173.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.41 -64.27 0.98 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.34 0.973 . . . . 0.0 110.058 168.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.4 t -77.51 -38.36 26.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 125.148 1.379 . . . . 0.0 112.064 -173.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -73.45 109.21 6.8 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.437 1.095 . . . . 0.0 109.183 -176.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.89 -54.68 26.51 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.797 1.639 . . . . 0.0 113.215 -173.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -62.52 -35.22 78.73 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.044 0.937 . . . . 0.0 112.729 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.29 45.67 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 125.071 1.319 . . . . 0.0 112.384 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.89 -50.8 9.95 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.748 0.819 . . . . 0.0 109.447 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.12 30.3 1.79 Allowed Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.851 2.167 . . . . 0.0 111.525 -173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 34.1 p -149.2 94.09 2.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.492 1.917 . . . . 0.0 108.307 -179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 tp -76.15 96.56 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 175.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -73.02 -179.66 3.34 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.136 1.374 . . . . 0.0 111.149 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -53.87 61.28 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 124.362 1.065 . . . . 0.0 111.162 177.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -60.61 -47.61 13.27 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 123.583 2.855 . . . . 0.0 111.836 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.0 -34.54 78.23 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.118 1.367 . . . . 0.0 112.199 -174.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -72.17 -49.11 38.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.701 1.201 . . . . 0.0 111.472 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.1 -45.93 75.51 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.88 0.872 . . . . 0.0 109.402 176.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.3 m -53.24 -60.33 3.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.477 1.511 . . . . 0.0 111.391 169.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.0 ttt -42.32 -46.04 4.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.718 1.607 . . . . 0.0 112.499 -178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 20.5 mmt -75.5 -63.43 1.29 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.638 1.575 . . . . 0.0 111.67 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.53 -70.76 0.47 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.406 1.083 . . . . 0.0 112.105 -170.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -71.43 -64.28 0.95 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.952 0.901 . . . . 0.0 111.84 -172.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm 100.0 119.56 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 129.752 3.221 . . . . 0.0 110.839 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 47.6 mtt 67.71 135.2 0.03 OUTLIER 'General case' 0 C--N 1.348 0.526 0 C-N-CA 127.004 2.121 . . . . 0.0 111.909 -173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -80.02 83.06 5.98 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.975 1.31 . . . . 0.0 108.042 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -155.07 179.41 9.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 127.803 2.441 . . . . 0.0 110.096 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.6 p -74.06 -76.1 0.14 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.879 1.272 . . . . 0.0 111.014 -177.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -79.68 88.99 5.15 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.758 1.223 . . . . 0.0 108.782 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.5 m -114.75 -48.64 2.84 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.753 1.621 . . . . 0.0 110.784 -169.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -58.42 -28.3 65.11 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.319 0.648 . . . . 0.0 112.206 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -72.61 -35.51 67.88 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.471 1.108 . . . . 0.0 111.695 173.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -56.13 -39.99 73.08 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.303 1.041 . . . . 0.0 111.671 175.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 16.2 mm -60.02 -51.98 66.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 124.696 1.198 . . . . 0.0 110.702 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -60.57 -37.27 80.78 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.52 1.128 . . . . 0.0 112.766 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -63.29 -45.93 89.09 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.467 1.107 . . . . 0.0 110.167 171.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.31 -24.95 67.42 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -63.58 -52.1 62.48 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.272 0.942 . . . . 0.0 109.679 167.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.6 mmt85 -54.07 -45.21 71.68 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.005 0.922 . . . . 0.0 112.502 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.8 t -61.89 -55.53 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.277 1.031 . . . . 0.0 110.508 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -75.71 -66.55 0.77 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.717 0.807 . . . . 0.0 110.76 -169.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -75.33 140.52 43.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.319 1.447 . . . . 0.0 110.399 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -80.45 2.25 25.9 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.3 m-20 -116.7 -65.61 1.17 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.728 1.211 . . . . 0.0 109.423 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.3 68.04 1.72 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 125.154 1.359 . . . . 0.0 110.894 -177.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -138.83 38.53 2.18 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.677 1.591 . . . . 0.0 111.164 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 55.24 44.88 84.3 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.738 1.161 . . . . 0.0 112.589 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -173.16 124.54 0.42 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.952 2.501 . . . . 0.0 107.043 -175.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 58.8 mt -129.48 105.28 12.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.032 1.333 . . . . 0.0 108.007 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -71.29 146.38 48.94 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.297 1.039 . . . . 0.0 111.001 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.86 70.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.085 1.354 . . . . 0.0 112.657 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.69 -39.8 85.76 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.753 1.221 . . . . 0.0 112.459 174.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -72.88 -34.2 66.55 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.84 1.256 . . . . 0.0 111.96 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -61.07 2.69 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 124.693 1.197 . . . . 0.0 111.327 173.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -57.24 -30.77 64.89 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 33.0 t-80 -61.09 -58.63 7.59 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.596 1.158 . . . . 0.0 110.895 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.7 p -67.11 -26.97 37.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 mmt -65.12 -47.46 77.06 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.887 0.767 . . . . 0.0 110.692 171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 m -64.28 -35.28 80.32 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.519 1.528 . . . . 0.0 112.341 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -49.81 -37.24 29.47 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.707 1.603 . . . . 0.0 112.843 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 83.2 mt -54.6 -57.0 13.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.705 1.602 . . . . 0.0 111.196 174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.82 66.34 0.04 OUTLIER Glycine 0 CA--C 1.528 0.863 0 N-CA-C 109.686 -1.365 . . . . 0.0 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -161.29 162.61 31.05 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.279 1.031 . . . . 0.0 111.736 -175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 46.4 mtpt -144.96 98.91 3.25 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.238 1.415 . . . . 0.0 109.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 89.9 mt -119.06 151.87 37.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.206 1.802 . . . . 0.0 108.193 167.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 82.1 p -72.7 131.42 42.37 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.503 0.721 . . . . 0.0 112.1 -164.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -62.74 -21.92 66.17 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.134 1.774 . . . . 0.0 113.906 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -57.14 -29.77 63.88 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 119.247 0.931 . . . . 0.0 112.684 174.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.37 -42.99 99.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.294 1.038 . . . . 0.0 111.162 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 25.0 t -66.55 -52.71 43.14 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 C-N-CA 124.47 1.108 . . . . 0.0 109.803 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -52.25 -36.34 52.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.43 1.092 . . . . 0.0 112.511 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -62.3 -57.11 12.56 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.971 0.908 . . . . 0.0 111.41 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -68.48 -14.76 63.23 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.439 1.274 . . . . 0.0 114.439 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.15 -59.98 3.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 161.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -52.85 -33.97 52.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.56 1.944 . . . . 0.0 114.572 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -45.21 -50.09 11.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.321 1.448 . . . . 0.0 112.175 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -131.19 44.64 2.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.56 1.144 . . . . 0.0 111.395 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -81.25 120.85 25.43 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.893 0.877 . . . . 0.0 109.892 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -89.43 -57.11 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 125.749 1.62 . . . . 0.0 108.836 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -60.07 -81.18 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.802 1.641 . . . . 0.0 112.85 -173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 167.25 49.94 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 CA-C-N 118.685 0.675 . . . . 0.0 112.372 -178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.8 t70 50.38 52.07 15.52 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.624 1.969 . . . . 0.0 111.809 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -108.13 -88.42 1.98 Allowed Glycine 0 C--N 1.342 0.863 0 N-CA-C 108.702 -1.759 . . . . 0.0 108.702 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -129.66 137.42 50.63 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.568 1.547 . . . . 0.0 109.649 174.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.46 91.92 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 125.353 1.461 . . . . 0.0 108.983 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -69.7 171.19 9.47 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.618 1.567 . . . . 0.0 111.998 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -54.97 -45.65 74.99 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.723 0.809 . . . . 0.0 112.694 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.26 -47.7 82.78 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 118.694 0.679 . . . . 0.0 111.212 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.58 -45.66 86.02 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.552 0.741 . . . . 0.0 111.842 173.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -57.7 -44.28 85.78 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.032 1.733 . . . . 0.0 111.964 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.41 -59.13 4.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 124.631 1.172 . . . . 0.0 109.44 172.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -66.55 -29.79 69.95 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -170.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -69.98 -30.83 68.26 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 120.22 1.373 . . . . 0.0 111.54 174.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 57.1 mtt -85.91 -19.14 30.96 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.314 1.446 . . . . 0.0 112.412 170.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.4 m -133.95 58.18 1.78 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.119 1.768 . . . . 0.0 108.494 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.68 106.83 17.89 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 124.329 1.052 . . . . 0.0 108.503 -178.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.091 0 C-N-CA 127.086 2.155 . . . . 0.0 110.416 -172.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -75.15 -60.23 2.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.585 1.154 . . . . 0.0 110.289 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 m80 73.32 153.66 0.14 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.817 2.047 . . . . 0.0 111.936 -178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -128.66 132.97 48.1 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.966 1.707 . . . . 0.0 108.591 178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 92.29 2.62 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.713 1.205 . . . . 0.0 108.777 -178.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 46.7 p -118.57 160.67 21.35 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.383 1.473 . . . . 0.0 111.977 -176.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -54.83 -33.39 61.62 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.014 1.326 . . . . 0.0 112.556 176.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 71.2 m -62.56 -58.59 7.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.521 1.128 . . . . 0.0 110.289 173.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -49.55 -42.25 43.58 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.595 1.158 . . . . 0.0 112.389 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.32 -44.58 96.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 123.873 0.869 . . . . 0.0 111.276 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -65.11 -41.7 94.69 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.324 1.05 . . . . 0.0 112.064 176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mp -61.63 -49.7 75.5 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.48 1.112 . . . . 0.0 111.032 177.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -58.21 -48.92 78.86 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.303 1.441 . . . . 0.0 111.531 175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 33.7 ttm -49.48 -63.4 1.12 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 111.229 174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -70.08 -34.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 C-N-CA 124.617 1.167 . . . . 0.0 111.613 -170.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 52.2 m -54.19 -54.11 44.31 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.056 0.942 . . . . 0.0 110.446 170.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.3 -21.32 63.87 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.6 t90 -67.34 -46.26 73.95 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.257 1.023 . . . . 0.0 110.028 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -53.5 -45.12 69.57 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 168.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -30.27 71.2 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.582 1.553 . . . . 0.0 112.824 178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -46.32 83.94 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.497 1.044 . . . . 0.0 110.696 175.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.79 -36.97 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.292 1.037 . . . . 0.0 110.827 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -62.02 -23.46 66.46 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.845 1.258 . . . . 0.0 112.494 174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.95 -65.25 1.03 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.302 1.041 . . . . 0.0 110.357 170.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -52.12 -51.71 56.11 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.183 1.793 . . . . 0.0 112.752 -174.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -115.16 74.82 0.9 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.873 1.669 . . . . 0.0 109.227 -165.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -164.23 155.11 15.36 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.342 1.457 . . . . 0.0 109.349 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? . . . . . 0 C--O 1.251 1.158 0 C-N-CA 126.541 1.936 . . . . 0.0 113.257 179.607 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.023 0 N-CA-C 112.119 -0.392 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -142.87 96.1 2.88 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.94 1.296 . . . . 0.0 109.414 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -143.05 42.76 1.55 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.7 1.2 . . . . 0.0 111.476 -175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? 49.5 60.25 3.91 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.308 1.843 . . . . 0.0 112.127 172.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -104.25 91.72 4.05 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 125.028 1.331 . . . . 0.0 109.127 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 74.2 p -66.05 140.0 58.23 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.798 0.839 . . . . 0.0 110.064 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -57.1 -36.54 70.75 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.518 1.527 . . . . 0.0 111.698 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 51.4 m -49.65 -56.51 9.8 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.278 1.431 . . . . 0.0 111.731 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -52.04 -43.26 63.66 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.137 1.375 . . . . 0.0 113.09 -179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.88 -49.46 84.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.202 0.601 . . . . 0.0 111.472 -172.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.2 tm0? -69.26 -37.01 77.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.086 0.954 . . . . 0.0 111.382 175.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 13.1 tp -58.77 -42.58 89.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.912 1.285 . . . . 0.0 112.152 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.31 -19.52 53.36 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.74 1.216 . . . . 0.0 112.286 174.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -71.02 -27.55 63.76 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.882 0.873 . . . . 0.0 111.668 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.2 mt -73.07 -41.36 59.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 125.408 1.483 . . . . 0.0 110.802 167.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 51.3 m -53.94 -48.9 69.76 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.808 0.731 . . . . 0.0 110.36 173.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.74 -44.94 70.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.262 1.425 . . . . 0.0 112.197 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 47.7 m0 -54.36 -62.47 1.64 Allowed 'General case' 0 C--N 1.346 0.418 0 C-N-CA 123.569 0.748 . . . . 0.0 111.806 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -49.9 -38.64 36.8 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.357 1.063 . . . . 0.0 112.451 177.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -65.37 -49.3 69.86 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.6 1.16 . . . . 0.0 111.238 -173.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -59.88 -41.56 91.84 Favored 'General case' 0 C--N 1.349 0.572 0 CA-C-N 119.089 0.859 . . . . 0.0 112.238 175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.5 t -59.79 -42.51 89.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.819 0.848 . . . . 0.0 110.433 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -59.68 -35.08 73.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.213 1.005 . . . . 0.0 112.833 -176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -68.61 -52.19 34.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.373 1.069 . . . . 0.0 110.516 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -50.93 -44.06 60.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.42 1.888 . . . . 0.0 112.988 175.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 -44.48 72.66 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.065 1.746 . . . . 0.0 111.725 -179.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -70.71 140.22 51.38 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.395 1.078 . . . . 0.0 109.524 174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mptt . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.394 -1.289 . . . . 0.0 109.34 -172.198 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 120.644 0.259 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -75.56 -79.63 0.09 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.0 1.32 . . . . 0.0 110.072 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -160.07 90.12 0.89 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.85 1.66 . . . . 0.0 107.114 175.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.52 -61.95 1.65 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.21 1.404 . . . . 0.0 110.75 -176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.8 m -114.54 145.79 41.52 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.864 1.666 . . . . 0.0 108.555 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.9 6.34 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.97 1.308 . . . . 0.0 114.273 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -56.97 -52.24 66.03 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.196 1.398 . . . . 0.0 109.805 169.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -52.49 -54.68 29.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.905 1.682 . . . . 0.0 110.999 177.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 87.9 mt -53.8 -62.9 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 125.394 1.477 . . . . 0.0 109.356 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.2 -46.11 23.68 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.957 1.703 . . . . 0.0 113.09 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -57.21 -48.88 77.68 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.765 1.226 . . . . 0.0 111.315 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -66.96 -30.2 70.26 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.134 0.974 . . . . 0.0 113.565 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -70.7 -43.7 68.46 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.307 0.958 . . . . 0.0 111.012 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -55.64 -41.77 74.02 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.529 1.131 . . . . 0.0 111.392 168.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.57 -53.25 58.81 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.378 1.071 . . . . 0.0 112.369 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -56.23 -49.99 72.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.201 1.4 . . . . 0.0 111.681 178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.0 p -59.8 -30.4 68.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.629 1.172 . . . . 0.0 113.659 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.22 -48.61 77.56 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.62 0.768 . . . . 0.0 111.476 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -62.22 -47.87 82.5 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.046 0.938 . . . . 0.0 111.542 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.57 78.75 9.59 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.415 1.086 . . . . 0.0 110.422 -174.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -61.77 -38.35 87.69 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.462 1.105 . . . . 0.0 110.789 169.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -47.96 -54.32 13.2 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.877 2.071 . . . . 0.0 112.63 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 117.36 -44.6 1.41 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 124.741 1.162 . . . . 0.0 112.23 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -55.93 -37.11 68.51 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.765 1.226 . . . . 0.0 113.735 -174.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.98 65.46 1.04 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.429 1.014 . . . . 0.0 112.858 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.1 p -146.12 95.36 2.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.814 1.246 . . . . 0.0 108.869 169.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.4 mt -71.85 116.36 13.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 175.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -133.6 -179.63 5.65 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.507 1.523 . . . . 0.0 111.29 -169.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.1 p -57.77 -55.38 35.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.785 2.034 . . . . 0.0 112.491 -177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -57.83 -47.1 83.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.019 1.728 . . . . 0.0 111.254 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -62.05 -42.76 99.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.839 1.255 . . . . 0.0 111.443 177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -43.55 75.3 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.335 1.054 . . . . 0.0 110.798 170.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.55 -42.61 99.22 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 125.7 1.619 . . . . 0.0 112.994 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.1 m -59.48 -45.52 91.44 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.532 1.133 . . . . 0.0 111.593 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 61.8 t -53.05 -58.83 2.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 125.812 1.645 . . . . 0.0 110.687 176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 36.4 mtt -52.77 -46.4 67.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.766 1.626 . . . . 0.0 112.488 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.63 -48.29 79.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.056 1.342 . . . . 0.0 111.808 177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.4 p -79.86 36.23 0.33 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.093 1.357 . . . . 0.0 112.361 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.0 mt -144.47 -66.08 0.34 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.7 2.0 . . . . 0.0 107.796 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.11 51.38 0.02 OUTLIER Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.038 0.827 . . . . 0.0 112.433 175.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -147.11 151.48 36.91 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.933 1.693 . . . . 0.0 109.651 179.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -154.44 75.12 5.87 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 123.827 0.851 . . . . 0.0 111.014 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -72.13 -178.22 3.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.506 2.804 . . . . 0.0 114.4 -177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -80.44 136.24 36.3 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.178 1.791 . . . . 0.0 110.009 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -53.47 -51.03 64.03 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 126.375 1.87 . . . . 0.0 112.595 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.54 -48.0 66.37 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.097 1.359 . . . . 0.0 111.97 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -54.21 -50.23 67.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.766 1.226 . . . . 0.0 111.51 174.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.66 -26.07 66.8 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.925 1.29 . . . . 0.0 113.23 178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -76.19 -55.61 5.42 Favored 'General case' 0 C--N 1.345 0.406 0 CA-C-N 119.265 0.939 . . . . 0.0 111.176 172.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -52.92 -49.93 64.98 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.523 1.129 . . . . 0.0 112.213 -174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -51.95 -41.31 61.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.993 0.917 . . . . 0.0 112.818 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.2 mt -68.36 -56.13 13.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 125.42 1.488 . . . . 0.0 109.618 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -70.58 -14.62 62.57 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.071 1.348 . . . . 0.0 114.082 -169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.06 -22.87 6.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.607 1.163 . . . . 0.0 112.947 163.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.424 HG13 ' H ' ' A' ' 76' ' ' MET . 21.6 t -115.39 -24.59 3.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 125.714 1.605 . . . . 0.0 112.5 -175.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -75.14 104.05 5.56 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.232 1.013 . . . . 0.0 109.15 -178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.05 63.31 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.325 1.45 . . . . 0.0 111.641 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.01 -42.9 99.33 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.677 1.591 . . . . 0.0 112.253 173.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.98 56.28 7.24 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 124.103 0.859 . . . . 0.0 112.004 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -93.59 -56.22 2.99 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.038 1.335 . . . . 0.0 109.473 177.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 128.83 9.64 3.42 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 125.918 1.723 . . . . 0.0 113.033 -174.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 46.6 p -135.12 132.35 37.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.576 1.95 . . . . 0.0 108.596 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.9 mm -111.33 102.37 13.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.263 1.425 . . . . 0.0 109.016 -176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -67.3 178.42 1.53 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.417 1.487 . . . . 0.0 111.537 174.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -56.44 36.11 Favored Pre-proline 0 CA--C 1.543 0.711 0 CA-C-O 118.287 -0.863 . . . . 0.0 111.159 178.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -53.6 -44.0 52.88 Favored 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 123.853 3.035 . . . . 0.0 112.581 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.23 -26.6 67.44 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.96 1.304 . . . . 0.0 112.721 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -83.22 -38.64 21.99 Favored 'General case' 0 C--N 1.349 0.546 0 CA-C-N 119.484 1.038 . . . . 0.0 112.058 175.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -53.34 -42.94 67.29 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.071 0.948 . . . . 0.0 110.129 167.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.6 m -60.04 -51.57 69.08 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.33 1.052 . . . . 0.0 110.678 168.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttt -52.53 -51.92 57.28 Favored 'General case' 0 C--N 1.347 0.485 0 C-N-CA 124.56 1.144 . . . . 0.0 113.195 -171.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.8 mmt -74.02 -63.44 1.22 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.175 0.99 . . . . 0.0 110.823 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.98 -60.85 2.08 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.377 1.071 . . . . 0.0 112.594 -169.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -72.68 -67.01 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.311 1.045 . . . . 0.0 109.462 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? 74.58 136.48 0.06 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.905 2.082 . . . . 0.0 112.215 170.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.424 ' H ' HG13 ' A' ' 55' ' ' VAL . 1.1 tmt? 84.98 142.07 0.06 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 128.726 2.81 . . . . 0.0 111.051 -172.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.94 60.2 0.52 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.585 2.354 . . . . 0.0 114.932 -168.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -134.76 171.33 14.52 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.94 1.296 . . . . 0.0 109.556 160.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.6 p -67.28 -76.51 0.08 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.664 1.186 . . . . 0.0 110.053 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -84.13 60.44 5.9 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.204 1.402 . . . . 0.0 110.369 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -84.26 21.62 1.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.63 -46.05 33.8 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.017 1.327 . . . . 0.0 110.3 169.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.55 -25.46 67.99 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.972 0.909 . . . . 0.0 112.177 171.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -68.85 -30.03 68.47 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.123 0.969 . . . . 0.0 112.345 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 mm -67.88 -55.28 17.38 Favored 'Isoleucine or valine' 0 C--N 1.347 0.463 0 CA-C-N 119.138 0.881 . . . . 0.0 109.834 168.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.9 mtp85 -54.21 -35.18 62.13 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.429 0.691 . . . . 0.0 112.22 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -65.66 -57.15 8.77 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.645 1.578 . . . . 0.0 110.227 173.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -48.65 -43.67 36.87 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.327 1.451 . . . . 0.0 112.969 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -50.43 -50.84 50.97 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.609 1.164 . . . . 0.0 111.074 173.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -78.46 -13.83 59.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 -178.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 72.0 t -69.54 -50.32 51.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 CA-C-N 119.885 1.221 . . . . 0.0 108.697 165.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -64.98 -48.33 74.38 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.893 1.277 . . . . 0.0 111.637 -178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -86.49 156.2 20.21 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 125.893 1.677 . . . . 0.0 111.765 -177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -102.26 -12.97 17.58 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.905 1.682 . . . . 0.0 111.699 170.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -105.7 -54.59 2.46 Favored 'General case' 0 C--N 1.35 0.608 0 C-N-CA 125.693 1.597 . . . . 0.0 111.804 175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.51 63.99 3.02 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.86 1.219 . . . . 0.0 111.599 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -106.18 42.02 1.33 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.489 1.516 . . . . 0.0 112.179 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 52.13 43.37 56.33 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.19 1.376 . . . . 0.0 112.13 -173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -175.46 142.73 0.6 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.346 1.858 . . . . 0.0 108.717 -165.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.57 110.72 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 125.219 1.408 . . . . 0.0 108.378 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.9 m -71.36 145.67 49.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.127 0.971 . . . . 0.0 110.549 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.21 -42.81 86.99 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.445 1.098 . . . . 0.0 111.517 175.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.5 -52.69 63.77 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.481 1.513 . . . . 0.0 111.749 175.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -58.2 -37.97 75.82 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.782 1.233 . . . . 0.0 112.258 174.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -43.82 98.23 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.442 1.097 . . . . 0.0 110.909 176.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -71.98 -32.77 67.56 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.252 1.021 . . . . 0.0 112.041 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -57.78 -58.98 5.98 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.56 1.144 . . . . 0.0 111.299 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.0 p -58.19 -36.15 56.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 124.298 1.039 . . . . 0.0 112.451 177.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.2 mmm -62.02 -50.21 72.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.507 1.123 . . . . 0.0 110.918 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.8 m -65.33 -40.6 93.88 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.463 1.505 . . . . 0.0 112.015 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -38.37 -51.96 1.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.664 2.386 . . . . 0.0 114.133 -174.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 112' ' ' LEU . 3.5 mp -57.81 -58.31 8.95 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.783 1.233 . . . . 0.0 110.657 -178.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 148.91 49.64 0.02 OUTLIER Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.332 1.92 . . . . 0.0 109.408 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -136.98 74.68 1.5 Allowed 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.593 1.557 . . . . 0.0 107.614 -173.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -76.77 77.47 3.39 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.271 1.428 . . . . 0.0 108.945 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.4 pp -91.77 163.52 14.04 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.549 1.94 . . . . 0.0 111.549 -177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 45.9 p -74.02 128.5 35.69 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.376 1.47 . . . . 0.0 110.692 -175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.16 -41.72 70.03 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.434 1.893 . . . . 0.0 112.455 -170.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -55.07 -32.99 62.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.746 1.218 . . . . 0.0 113.854 -176.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -61.44 -44.49 97.03 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.793 1.237 . . . . 0.0 111.232 178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.6 t -57.77 -46.22 86.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 110.888 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.9 m-20 -63.42 -34.75 78.43 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.824 1.249 . . . . 0.0 112.366 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -65.15 -56.19 14.31 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.281 1.032 . . . . 0.0 110.865 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.3 ptt? -64.73 -19.75 65.95 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 73.1 mt -67.35 -52.22 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 123.687 0.795 . . . . 0.0 109.185 165.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 47.2 mtt180 -57.08 -28.51 62.67 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.193 1.397 . . . . 0.0 113.991 177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -50.83 -37.11 40.95 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -138.64 31.44 2.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.367 1.067 . . . . 0.0 111.988 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -61.31 135.3 57.67 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.762 1.225 . . . . 0.0 111.35 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 47.4 mm -111.89 -57.71 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.938 1.695 . . . . 0.0 109.189 179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -59.01 -48.78 80.35 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.228 1.411 . . . . 0.0 113.476 -172.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 132.55 43.08 0.16 Allowed Glycine 0 CA--C 1.534 1.265 0 C-N-CA 124.965 1.269 . . . . 0.0 112.15 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.1 61.05 3.4 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.877 1.671 . . . . 0.0 111.436 174.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.66 -73.43 0.31 Allowed Glycine 0 CA--C 1.529 0.923 0 C-N-CA 126.08 1.8 . . . . 0.0 108.76 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -135.1 161.73 34.49 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.948 1.699 . . . . 0.0 109.311 168.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.5 t -105.59 103.48 15.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 C-N-CA 124.614 1.166 . . . . 0.0 108.552 -171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.67 -156.31 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.202 1.801 . . . . 0.0 111.183 -176.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -88.33 -49.89 6.68 Favored 'General case' 0 C--N 1.343 0.306 0 C-N-CA 125.467 1.507 . . . . 0.0 109.37 173.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -53.45 -21.83 6.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.679 1.192 . . . . 0.0 112.826 168.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -58.03 2.6 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.362 1.465 . . . . 0.0 110.356 175.161 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -59.14 -47.8 83.94 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.837 1.655 . . . . 0.0 113.39 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 89.5 t -62.69 -43.85 98.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 123.7 0.8 . . . . 0.0 110.11 176.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 42.9 tp60 -62.84 -43.08 99.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.025 1.33 . . . . 0.0 112.632 -178.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 14.3 mtp -48.05 -50.1 29.1 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.241 1.417 . . . . 0.0 111.414 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.3 mtp -84.0 -8.81 59.04 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.828 1.651 . . . . 0.0 113.14 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 25.9 m -143.48 63.33 1.36 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 125.737 1.615 . . . . 0.0 107.771 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -81.53 102.42 10.58 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.644 0.777 . . . . 0.0 110.134 -172.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 9.8 mmpt? . . . . . 0 C--O 1.251 1.141 0 C-N-CA 126.391 1.876 . . . . 0.0 108.595 178.226 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.143 0 N-CA-C 112.377 -0.289 . . . . 0.0 112.377 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -157.36 79.02 0.88 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.856 1.262 . . . . 0.0 108.012 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -123.67 161.71 24.54 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.704 1.602 . . . . 0.0 111.052 -173.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -136.95 157.25 47.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.542 1.537 . . . . 0.0 110.715 -177.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 63.74 0.38 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.621 1.568 . . . . 0.0 108.89 -174.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 28.4 p -64.79 154.65 36.33 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.323 1.449 . . . . 0.0 110.919 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -52.26 -37.18 54.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.958 0.903 . . . . 0.0 112.922 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 24.6 t -61.09 -61.27 2.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.546 1.139 . . . . 0.0 110.242 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -54.4 -38.85 66.67 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.625 1.17 . . . . 0.0 113.496 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.95 -59.99 3.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.962 0.905 . . . . 0.0 109.615 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -64.17 -28.79 69.99 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 tt -76.25 -47.24 24.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.178 0.991 . . . . 0.0 111.086 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.3 mm-40 -60.11 -35.74 75.9 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.427 0.691 . . . . 0.0 111.75 172.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -58.84 -55.28 37.16 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 123.264 0.626 . . . . 0.0 109.983 170.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tt -66.67 -29.82 47.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.9 m -61.88 -56.27 21.09 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.4 1.48 . . . . 0.0 109.267 168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.4 -24.71 66.7 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.545 1.538 . . . . 0.0 114.085 177.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -66.08 -34.0 77.07 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.94 1.296 . . . . 0.0 110.487 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -69.99 -40.58 75.24 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.119 1.368 . . . . 0.0 111.93 169.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -53.63 -42.99 68.37 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 124.102 0.961 . . . . 0.0 112.51 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -57.66 -40.68 79.9 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.555 0.616 . . . . 0.0 111.276 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t -60.73 -52.93 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.163 0.985 . . . . 0.0 108.889 175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -43.53 -51.56 6.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.446 1.898 . . . . 0.0 112.145 177.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -62.32 -56.8 14.91 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.978 1.311 . . . . 0.0 111.287 174.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -85.71 49.82 1.84 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.835 1.254 . . . . 0.0 111.429 -174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -133.67 -36.48 0.95 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.766 2.026 . . . . 0.0 110.472 166.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.24 100.39 0.17 Allowed 'General case' 0 C--N 1.349 0.552 0 CA-C-N 119.037 0.835 . . . . 0.0 108.767 170.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.401 1.48 . . . . 0.0 109.407 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.225 0 CA-C-O 119.846 -0.419 . . . . 0.0 112.905 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -88.64 78.96 7.65 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.623 1.169 . . . . 0.0 108.672 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -146.72 75.36 1.39 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.076 1.75 . . . . 0.0 106.895 -178.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -155.51 84.79 1.05 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.355 1.462 . . . . 0.0 107.365 -172.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -151.07 87.83 1.42 Allowed 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 125.77 1.628 . . . . 0.0 107.42 -173.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 26.8 p -81.19 164.5 22.28 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.881 1.273 . . . . 0.0 111.458 -176.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -48.51 -38.16 19.48 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.422 2.289 . . . . 0.0 113.102 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 82.6 p -56.27 -39.04 72.0 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.398 1.479 . . . . 0.0 113.15 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.87 -53.58 51.94 Favored 'General case' 0 C--N 1.346 0.435 0 C-N-CA 123.279 0.632 . . . . 0.0 110.453 174.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.4 t -51.25 -51.03 24.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.636 -172.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -66.96 -43.1 83.96 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.624 0.77 . . . . 0.0 112.611 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.98 -39.31 94.33 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.869 0.868 . . . . 0.0 112.376 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -67.0 -29.18 68.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.25 1.42 . . . . 0.0 112.234 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -30.83 59.53 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.361 1.064 . . . . 0.0 111.677 172.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.4 mt -63.69 -41.35 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 118.95 0.795 . . . . 0.0 109.522 168.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 53.2 m -62.09 -34.5 76.43 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.165 0.986 . . . . 0.0 111.696 171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.57 -44.95 96.09 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.012 0.824 . . . . 0.0 111.497 176.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -57.32 -45.0 84.68 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.12 0.418 . . . . 0.0 111.24 171.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -53.43 -43.87 68.37 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.828 0.851 . . . . 0.0 111.185 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.35 -44.12 97.22 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.547 1.139 . . . . 0.0 111.603 178.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -52.54 -59.79 4.03 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.361 0.982 . . . . 0.0 110.868 173.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.94 -43.22 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 123.61 0.764 . . . . 0.0 111.197 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -60.51 -46.07 91.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.531 1.133 . . . . 0.0 111.987 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -53.04 -38.24 62.26 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.188 1.395 . . . . 0.0 113.306 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -54.2 -58.25 8.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.248 1.419 . . . . 0.0 111.755 -173.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -96.26 -63.69 1.12 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.375 1.47 . . . . 0.0 109.89 174.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? 74.19 63.25 0.08 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.408 1.883 . . . . 0.0 110.166 177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.181 0 CA-C-O 117.291 -1.337 . . . . 0.0 109.661 -177.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.1 t0 75.0 -59.23 0.55 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.874 2.07 . . . . 0.0 111.772 178.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 64.93 68.09 0.52 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.255 1.822 . . . . 0.0 110.888 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -80.58 161.57 24.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.459 1.103 . . . . 0.0 111.079 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.1 m -60.32 144.93 49.43 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.902 1.281 . . . . 0.0 110.427 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -69.31 0.81 4.46 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.972 1.309 . . . . 0.0 114.304 -176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -56.83 -53.32 59.24 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 124.696 1.198 . . . . 0.0 111.698 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -58.85 -43.3 90.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.186 0.995 . . . . 0.0 112.283 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 85.8 mt -58.07 -58.83 4.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 125.412 1.485 . . . . 0.0 109.461 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.17 95.98 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.741 1.216 . . . . 0.0 112.54 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -52.53 -66.28 0.41 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.188 1.795 . . . . 0.0 111.0 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -66.87 -25.55 66.46 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.18 0.992 . . . . 0.0 113.482 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.39 -52.3 64.14 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 118.979 0.809 . . . . 0.0 109.956 171.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.68 -40.52 72.43 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.286 1.034 . . . . 0.0 111.549 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.36 -59.84 4.25 Favored 'General case' 0 C--N 1.347 0.497 0 C-N-CA 123.699 0.8 . . . . 0.0 111.313 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.18 -53.07 61.53 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.106 0.963 . . . . 0.0 111.922 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.1 m -50.96 -39.79 56.0 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.021 1.728 . . . . 0.0 113.271 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.97 -57.06 13.7 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.889 1.276 . . . . 0.0 110.442 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -62.64 -49.12 76.43 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.078 0.951 . . . . 0.0 111.236 174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.01 69.54 6.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.521 1.529 . . . . 0.0 109.614 -178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -65.27 -29.78 70.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.816 0.846 . . . . 0.0 111.747 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -52.17 -52.57 51.16 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.425 1.49 . . . . 0.0 111.713 173.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -36.82 4.13 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.369 0.985 . . . . 0.0 113.18 177.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -51.4 -42.22 61.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.206 1.402 . . . . 0.0 113.152 -176.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.23 69.61 0.7 Allowed Glycine 0 CA--C 1.527 0.826 0 C-N-CA 125.392 1.473 . . . . 0.0 110.893 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -151.11 137.41 18.49 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.996 1.718 . . . . 0.0 108.341 169.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.2 mm -126.24 118.0 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 125.594 1.558 . . . . 0.0 108.043 174.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 t -140.07 -176.42 4.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.38 1.472 . . . . 0.0 111.515 -173.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 71.3 p -58.23 -59.83 4.7 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.609 1.964 . . . . 0.0 112.018 -175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tmtm? -49.39 -52.89 25.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.889 2.076 . . . . 0.0 110.82 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -57.74 -56.94 15.4 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.943 1.297 . . . . 0.0 112.022 -178.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -50.81 -45.25 59.27 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 118.838 0.744 . . . . 0.0 111.396 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.26 -56.32 13.12 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.461 1.029 . . . . 0.0 112.091 173.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.4 m -52.33 -47.97 65.74 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.2 1.4 . . . . 0.0 111.968 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.2 t -56.73 -44.41 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.295 1.038 . . . . 0.0 110.931 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 46.4 mtt -64.88 -46.99 79.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.025 0.93 . . . . 0.0 112.382 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -43.38 86.47 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 119.174 0.897 . . . . 0.0 111.795 176.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -50.07 -49.56 50.95 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.372 1.069 . . . . 0.0 111.503 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.5 mt -69.7 -73.36 0.16 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.448 1.499 . . . . 0.0 109.774 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.57 67.29 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.406 1.003 . . . . 0.0 110.87 172.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.4 mp0 -152.84 142.82 22.23 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.134 1.774 . . . . 0.0 109.006 170.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -119.96 84.35 32.39 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 125.929 1.691 . . . . 0.0 109.553 -178.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -77.7 163.84 28.66 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 124.067 3.178 . . . . 0.0 113.224 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.1 m -87.89 134.94 33.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.289 1.836 . . . . 0.0 110.501 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -63.03 -39.94 96.25 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.4 1.48 . . . . 0.0 113.261 -176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.79 86.9 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.814 1.246 . . . . 0.0 111.308 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.28 -41.8 89.32 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.781 1.233 . . . . 0.0 111.548 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 34.3 mt -55.43 -42.95 74.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.95 1.3 . . . . 0.0 111.73 172.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.52 -63.48 1.05 Allowed 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.169 0.988 . . . . 0.0 111.011 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -56.44 -47.43 79.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.776 1.231 . . . . 0.0 112.639 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -51.97 -46.24 64.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.975 0.91 . . . . 0.0 112.885 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 54.9 mt -67.63 -45.36 85.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.288 1.435 . . . . 0.0 109.414 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -61.76 -27.02 68.44 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.8 1.64 . . . . 0.0 114.059 -173.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -66.39 0.55 Allowed 'General case' 0 C--N 1.349 0.549 0 CA-C-N 119.33 0.968 . . . . 0.0 110.147 171.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.47 -35.0 63.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.462 1.105 . . . . 0.0 111.512 -170.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.54 131.54 44.14 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 169.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.32 -63.38 1.12 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.913 0.885 . . . . 0.0 110.104 177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -61.05 -42.23 98.1 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.397 1.879 . . . . 0.0 112.836 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.74 66.26 2.1 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 124.542 1.068 . . . . 0.0 112.351 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -106.95 11.33 29.98 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.054 0.942 . . . . 0.0 113.152 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.11 -59.29 4.55 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 124.8 1.191 . . . . 0.0 111.505 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 68.5 p -67.22 141.0 57.44 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.705 1.602 . . . . 0.0 109.911 171.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.4 mm -125.14 101.42 8.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -70.56 -175.86 1.14 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.374 1.47 . . . . 0.0 111.789 -174.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -48.84 -72.39 0.14 Allowed Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 125.225 1.41 . . . . 0.0 111.542 174.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -56.2 -41.69 74.0 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.558 2.839 . . . . 0.0 112.205 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -56.55 -47.45 79.43 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.205 1.002 . . . . 0.0 112.415 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -68.25 -44.79 74.85 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 118.586 0.63 . . . . 0.0 111.398 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.5 mp -55.55 -40.69 72.23 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.155 0.982 . . . . 0.0 110.852 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -62.96 -64.29 0.96 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.324 1.05 . . . . 0.0 110.238 171.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.1 ttt -32.79 -51.87 0.31 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 128.663 2.785 . . . . 0.0 113.086 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 26.4 mmt -78.24 -63.96 1.28 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.541 1.136 . . . . 0.0 111.489 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.25 -73.38 0.12 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.994 0.917 . . . . 0.0 112.623 -171.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -81.98 -50.13 9.48 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.107 0.963 . . . . 0.0 112.066 -173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 38.7 tptt 99.13 129.49 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 128.637 2.775 . . . . 0.0 110.124 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.2 tpt 77.28 119.95 0.05 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.625 1.57 . . . . 0.0 110.978 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.0 78.54 3.54 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.611 1.164 . . . . 0.0 110.47 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -141.29 -175.54 4.38 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.53 1.532 . . . . 0.0 110.447 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.4 p -69.22 -62.37 1.41 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.596 0.758 . . . . 0.0 109.557 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -85.75 65.78 9.31 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.959 1.304 . . . . 0.0 109.142 178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 62.4 m -62.58 -56.94 13.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.467 1.107 . . . . 0.0 110.506 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -63.99 -22.36 66.89 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -175.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -65.98 -21.92 66.44 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 118.177 -0.916 . . . . 0.0 113.068 173.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -60.91 -54.09 49.28 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.739 1.154 . . . . 0.0 110.744 176.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.7 mm -56.21 -44.86 80.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.492 1.517 . . . . 0.0 110.605 176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 -42.71 79.76 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.8 0.84 . . . . 0.0 111.621 173.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.66 -45.77 92.59 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.067 1.347 . . . . 0.0 111.053 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 -45.55 93.64 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.883 1.273 . . . . 0.0 111.318 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -64.42 -55.03 23.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.09 1.756 . . . . 0.0 112.16 -175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -34.05 76.93 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.839 0.855 . . . . 0.0 112.966 -176.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 76.1 t -69.06 -50.92 49.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.467 1.107 . . . . 0.0 110.098 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 5.9 m-30 -62.67 -73.35 0.11 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.214 1.006 . . . . 0.0 110.526 -178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.9 163.22 22.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.457 1.503 . . . . 0.0 111.571 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.73 -12.15 32.1 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.993 1.717 . . . . 0.0 112.833 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -149.28 56.58 1.0 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.581 1.153 . . . . 0.0 111.665 -167.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.11 -32.36 2.51 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.07 0.843 . . . . 0.0 114.984 171.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.2 t30 73.12 44.66 0.32 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.26 1.824 . . . . 0.0 111.306 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -84.09 -76.82 1.16 Allowed Glycine 0 C--N 1.343 0.937 0 N-CA-C 110.106 -1.198 . . . . 0.0 110.106 -175.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -96.15 98.82 10.63 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 126.358 1.863 . . . . 0.0 108.081 171.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 mt -93.41 97.94 7.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 124.178 0.991 . . . . 0.0 108.867 -169.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.0 t -64.42 157.42 26.51 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.715 0.806 . . . . 0.0 111.145 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.8 -42.09 64.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.872 1.269 . . . . 0.0 111.905 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.48 -51.38 68.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.106 1.362 . . . . 0.0 111.85 174.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.22 -43.26 87.63 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.424 1.089 . . . . 0.0 111.756 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.06 -43.64 82.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.133 1.373 . . . . 0.0 110.614 178.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.7 ttt-85 -55.47 -51.47 66.87 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.49 1.116 . . . . 0.0 111.232 172.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.1 m-70 -50.47 -46.08 56.6 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.451 1.5 . . . . 0.0 113.687 -173.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.0 -40.08 87.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.099 0.863 . . . . 0.0 112.201 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 79.5 mtp -64.46 -46.13 84.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.862 0.865 . . . . 0.0 110.779 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.4 m -58.46 -44.19 89.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.052 1.341 . . . . 0.0 111.077 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -56.81 -44.78 82.32 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.701 1.6 . . . . 0.0 112.215 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 tt -53.54 -65.81 0.5 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.941 1.297 . . . . 0.0 109.16 173.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 143.5 77.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.302 1.43 . . . . 0.0 110.096 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -169.5 132.22 1.21 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.692 1.197 . . . . 0.0 110.346 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.2 65.29 0.66 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.502 1.921 . . . . 0.0 110.0 -170.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 86.6 mt -94.34 134.88 36.37 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.71 1.604 . . . . 0.0 109.111 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 70.0 p -67.19 139.58 57.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.35 1.06 . . . . 0.0 112.113 -165.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.76 -5.91 41.08 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -66.03 -40.57 91.16 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.223 0.919 . . . . 0.0 110.243 170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.8 -38.88 76.32 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.39 1.476 . . . . 0.0 111.45 174.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 45.0 t -60.34 -52.89 56.05 Favored 'Isoleucine or valine' 0 C--N 1.347 0.494 0 C-N-CA 124.61 1.164 . . . . 0.0 109.929 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -53.86 -45.61 71.02 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.135 0.974 . . . . 0.0 112.086 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -56.24 -54.66 42.71 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.555 0.742 . . . . 0.0 111.441 177.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -71.08 -16.35 62.58 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 36.6 mt -76.97 -62.66 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 124.386 1.074 . . . . 0.0 108.877 170.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 39.9 mtm105 -56.38 -30.27 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.952 1.701 . . . . 0.0 114.525 -168.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -56.11 -22.39 27.96 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 175.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.03 57.53 0.85 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.512 1.125 . . . . 0.0 110.4 169.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -106.2 85.11 2.14 Favored 'General case' 0 C--N 1.345 0.391 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 166.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.1 mm -58.58 -52.13 63.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 C-N-CA 126.261 1.825 . . . . 0.0 111.624 -172.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -61.75 -54.15 46.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.186 0.994 . . . . 0.0 111.331 177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.02 76.58 1.04 Allowed Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.214 -1.154 . . . . 0.0 110.214 -178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -147.89 38.08 0.9 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.465 1.506 . . . . 0.0 110.696 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 55.4 26.13 43.53 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 126.139 1.828 . . . . 0.0 114.294 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -142.24 149.73 40.0 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.858 1.663 . . . . 0.0 109.517 -171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.5 t -101.81 102.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 C-N-CA 125.08 1.352 . . . . 0.0 107.971 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -67.22 169.86 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.297 1.039 . . . . 0.0 110.968 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -51.77 65.43 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.884 1.274 . . . . 0.0 111.849 -178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -55.55 -51.01 68.5 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.843 1.257 . . . . 0.0 111.766 172.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -57.84 -35.1 70.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.416 1.086 . . . . 0.0 111.936 -178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -60.26 -36.82 78.68 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.046 1.338 . . . . 0.0 111.997 174.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.7 t -70.04 -64.21 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 123.602 0.761 . . . . 0.0 109.505 173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -53.04 -38.25 62.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.638 1.575 . . . . 0.0 114.189 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -61.59 -33.18 73.45 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 118.775 0.716 . . . . 0.0 112.816 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 15.0 mmt -93.98 -22.01 18.83 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.226 1.81 . . . . 0.0 112.364 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 6.8 m -121.21 65.9 0.87 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.829 1.651 . . . . 0.0 108.058 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -83.46 110.55 18.27 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.536 0.735 . . . . 0.0 110.452 -173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.614 1.966 . . . . 0.0 109.733 175.573 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.131 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -72.98 -66.63 0.65 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.684 1.194 . . . . 0.0 110.317 -176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -85.97 161.69 18.88 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.165 1.386 . . . . 0.0 111.998 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -78.47 173.57 12.22 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.626 1.57 . . . . 0.0 111.423 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -74.76 100.78 4.11 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.583 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 30.7 p -75.3 -176.59 3.16 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.531 1.532 . . . . 0.0 111.619 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -60.64 -26.79 67.31 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.698 1.199 . . . . 0.0 112.476 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -58.39 -55.45 34.85 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.723 0.809 . . . . 0.0 111.429 177.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -58.94 -42.37 89.64 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.764 0.826 . . . . 0.0 111.94 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -51.94 -50.83 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 C-N-CA 124.315 1.046 . . . . 0.0 110.769 172.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -73.88 -23.48 59.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.695 1.198 . . . . 0.0 113.48 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 57.4 mt -75.25 -45.78 37.96 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.098 0.959 . . . . 0.0 110.416 172.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -57.97 -41.45 82.94 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.875 1.27 . . . . 0.0 111.785 172.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 64.8 ttp -51.72 -56.43 13.79 Favored 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.762 1.225 . . . . 0.0 110.433 171.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.75 87.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 C-N-CA 124.353 1.061 . . . . 0.0 112.24 -178.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 51.7 m -64.69 -39.87 94.41 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.409 1.084 . . . . 0.0 111.192 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.96 -34.87 62.11 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.594 1.158 . . . . 0.0 112.345 176.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -65.89 -44.0 86.61 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.072 1.749 . . . . 0.0 110.281 178.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -50.78 -51.0 54.69 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.762 1.625 . . . . 0.0 110.909 166.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -49.08 72.8 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.91 1.284 . . . . 0.0 111.658 178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.38 -49.43 67.24 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.969 0.804 . . . . 0.0 112.144 -176.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 50.7 t -66.72 -43.79 89.85 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 123.492 0.717 . . . . 0.0 110.973 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -53.71 -41.18 66.73 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.02 0.928 . . . . 0.0 111.889 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.24 -54.57 19.73 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.976 1.31 . . . . 0.0 110.495 177.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -91.04 55.65 2.96 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.342 1.057 . . . . 0.0 110.718 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -174.84 -67.55 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.816 1.646 . . . . 0.0 108.718 171.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.6 tttp 55.97 41.59 29.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.384 2.673 . . . . 0.0 114.339 173.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 44.8 mttt . . . . . 0 C--O 1.252 1.199 0 C-N-CA 125.589 1.555 . . . . 0.0 108.173 176.935 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 CA-C-O 119.752 -0.471 . . . . 0.0 112.052 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.1 m -76.02 87.41 2.94 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.634 1.173 . . . . 0.0 109.199 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 t60 56.02 28.74 13.23 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.322 1.449 . . . . 0.0 112.242 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mptt 61.2 166.48 0.09 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.079 1.752 . . . . 0.0 112.772 -173.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.82 117.23 28.32 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.265 1.826 . . . . 0.0 107.434 170.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 66.1 p -125.2 167.79 14.35 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.271 1.428 . . . . 0.0 110.662 175.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -59.54 -36.9 77.04 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.409 1.484 . . . . 0.0 112.232 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 67.6 m -58.46 -53.98 52.18 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 110.811 171.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -60.94 -46.31 91.22 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.5 1.12 . . . . 0.0 111.784 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 39.3 t -49.06 -61.52 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.481 1.512 . . . . 0.0 110.228 173.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.32 -40.74 94.11 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.483 0.713 . . . . 0.0 112.617 -173.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.49 -45.94 88.42 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.895 1.278 . . . . 0.0 111.998 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -73.82 -24.58 59.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 123.741 0.816 . . . . 0.0 112.172 175.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -65.98 -29.68 70.1 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.586 1.154 . . . . 0.0 111.868 166.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 91.2 mt -75.99 -33.8 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 CA-C-N 119.192 0.905 . . . . 0.0 110.323 169.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 56.0 m -60.07 -38.14 81.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.481 1.037 . . . . 0.0 111.69 170.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.99 -41.98 65.14 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.968 0.907 . . . . 0.0 111.824 172.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 54.0 m0 -59.24 -47.43 85.39 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.868 -0.52 . . . . 0.0 111.622 176.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -56.93 -38.63 73.16 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.751 0.821 . . . . 0.0 111.986 177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -65.79 -40.87 92.34 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.691 1.196 . . . . 0.0 111.567 176.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -53.95 46.6 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.241 1.417 . . . . 0.0 110.505 169.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -58.1 -41.96 81.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.392 1.077 . . . . 0.0 111.787 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -54.85 -48.56 72.75 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.252 1.021 . . . . 0.0 110.989 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.9 -52.11 64.36 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.699 1.2 . . . . 0.0 112.029 175.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -72.47 -14.35 61.65 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.381 1.252 . . . . 0.0 114.381 -176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tmmm? -60.99 -45.99 92.55 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.47 1.108 . . . . 0.0 110.336 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 60.5 mtpt -64.93 137.29 57.66 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.177 0.991 . . . . 0.0 110.062 166.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.252 1.191 0 CA-C-O 117.431 -1.271 . . . . 0.0 108.299 171.485 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 120.73 0.3 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -72.33 -77.69 0.09 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.474 1.109 . . . . 0.0 109.271 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.21 164.56 25.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.383 1.073 . . . . 0.0 111.764 176.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.94 152.91 50.79 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.871 1.669 . . . . 0.0 110.391 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -73.31 146.45 45.28 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.881 1.673 . . . . 0.0 110.936 -176.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.22 -11.16 19.09 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.769 1.627 . . . . 0.0 115.094 -178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -51.25 -50.23 59.6 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.359 1.464 . . . . 0.0 111.309 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -52.79 -40.22 63.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.739 1.615 . . . . 0.0 112.399 -177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.9 mt -62.24 -48.55 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 125.122 1.369 . . . . 0.0 109.813 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.38 92.48 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.118 1.367 . . . . 0.0 112.487 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 61.1 mm-40 -57.33 -52.07 66.84 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.068 0.947 . . . . 0.0 111.222 172.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.48 -42.15 95.67 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.203 1.001 . . . . 0.0 112.377 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -57.85 -50.84 71.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.742 1.217 . . . . 0.0 111.512 177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -56.8 -53.7 54.88 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.53 1.132 . . . . 0.0 110.291 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.06 -41.35 87.72 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.29 1.036 . . . . 0.0 112.674 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -64.89 -48.61 73.61 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.687 1.195 . . . . 0.0 111.207 172.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -60.43 -34.72 74.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.991 1.316 . . . . 0.0 112.687 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.3 tp -54.9 -56.69 16.81 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.589 1.556 . . . . 0.0 110.905 176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -63.99 -44.19 93.44 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.858 1.263 . . . . 0.0 111.971 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -76.51 72.26 3.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.74 1.216 . . . . 0.0 109.571 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -58.6 -44.04 89.75 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.609 1.563 . . . . 0.0 111.055 175.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.88 -50.66 71.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.969 1.707 . . . . 0.0 111.967 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.64 -36.73 3.65 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 124.545 1.069 . . . . 0.0 112.935 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -52.56 -46.44 66.85 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.212 1.405 . . . . 0.0 113.421 -175.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.58 52.21 0.77 Allowed Glycine 0 C--N 1.344 1.014 0 C-N-CA 124.703 1.144 . . . . 0.0 113.025 171.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.3 p -147.51 95.23 2.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.117 1.367 . . . . 0.0 107.34 169.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 10.4 mt -77.39 77.78 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.367 -1.345 . . . . 0.0 107.367 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.3 t -74.6 174.49 8.97 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.819 1.248 . . . . 0.0 110.991 -174.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 75.7 p -47.23 -57.44 5.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.85 1.66 . . . . 0.0 111.725 176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 tptp -48.53 -52.55 22.04 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.411 1.884 . . . . 0.0 111.476 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -63.55 -47.03 83.26 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.898 1.679 . . . . 0.0 112.488 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.03 -48.07 82.92 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.34 1.056 . . . . 0.0 109.664 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.54 -44.28 46.18 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.776 1.655 . . . . 0.0 113.01 173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 20.3 m -59.53 -47.15 86.66 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.705 1.202 . . . . 0.0 111.918 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.0 t -56.53 -51.75 61.57 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.584 0.754 . . . . 0.0 110.321 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 93.6 mmm -55.71 -44.52 77.51 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.176 1.39 . . . . 0.0 111.833 174.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -59.56 -53.02 62.94 Favored 'General case' 0 C--N 1.346 0.425 0 C-N-CA 125.717 1.607 . . . . 0.0 111.329 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.5 m -54.28 -48.38 71.29 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.774 1.63 . . . . 0.0 111.197 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.23 -47.17 85.58 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.799 1.24 . . . . 0.0 111.614 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.33 76.12 0.04 OUTLIER Glycine 0 C--N 1.345 1.031 0 CA-C-O 119.666 -0.519 . . . . 0.0 111.826 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 65.93 168.84 0.21 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.119 1.768 . . . . 0.0 113.075 171.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -154.29 132.12 6.44 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 123.862 0.865 . . . . 0.0 110.894 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_exo -54.69 -150.56 0.0 OUTLIER 'Trans proline' 0 CA--C 1.549 1.243 1 C-N-CA 126.889 5.06 . . . . 0.0 116.708 168.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 m -64.85 156.48 30.7 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 127.948 2.499 . . . . 0.0 112.304 -171.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -77.06 -40.31 46.68 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 127.114 2.166 . . . . 0.0 112.327 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.71 -49.05 39.68 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.61 1.564 . . . . 0.0 111.702 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -53.79 -51.11 64.52 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.372 1.469 . . . . 0.0 111.407 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.3 mt -50.12 -48.74 53.4 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.277 1.031 . . . . 0.0 112.136 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -63.18 -52.62 61.6 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.166 0.987 . . . . 0.0 111.834 177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -54.01 -44.75 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.212 1.405 . . . . 0.0 112.709 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.8 mtm -54.36 -52.29 62.08 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.567 1.147 . . . . 0.0 112.155 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.3 mm -65.71 -46.11 90.06 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.379 1.472 . . . . 0.0 110.653 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -76.86 22.21 0.19 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.108 1.363 . . . . 0.0 113.624 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -70.64 -51.81 25.47 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.009 0.924 . . . . 0.0 108.767 157.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.6 t -109.72 -13.57 10.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 126.134 1.774 . . . . 0.0 112.414 -171.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -68.54 95.98 0.67 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.611 1.096 . . . . 0.0 108.523 177.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.19 -55.47 34.57 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.599 1.559 . . . . 0.0 111.68 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -55.77 -40.92 73.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.97 1.708 . . . . 0.0 112.013 171.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.44 43.21 20.46 Favored Glycine 0 CA--C 1.533 1.178 0 C-N-CA 124.344 0.973 . . . . 0.0 112.817 173.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -83.55 -15.55 48.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.97 1.308 . . . . 0.0 113.2 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 -57.47 0.78 Allowed Glycine 0 C--N 1.345 1.048 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -170.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 51.0 p -60.02 133.62 56.27 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.588 1.555 . . . . 0.0 110.706 175.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 tp -100.76 103.28 14.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.005 1.322 . . . . 0.0 107.541 171.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -76.12 175.42 8.96 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.343 1.057 . . . . 0.0 111.414 -177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -54.47 -54.04 52.92 Favored Pre-proline 0 CA--C 1.544 0.749 0 C-N-CA 125.1 1.36 . . . . 0.0 112.41 -176.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -61.02 -47.01 13.65 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.383 2.722 . . . . 0.0 111.768 175.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -58.1 -41.49 83.66 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.407 1.883 . . . . 0.0 112.664 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -66.54 -56.01 12.83 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.357 1.063 . . . . 0.0 111.535 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 pp -62.91 -39.73 95.44 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 122.973 0.509 . . . . 0.0 111.702 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.6 m -54.34 -44.84 72.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.925 1.69 . . . . 0.0 111.858 170.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.3 ttt -43.97 -49.14 8.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.943 1.697 . . . . 0.0 112.372 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.6 mmt -86.73 -46.59 9.87 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.269 1.428 . . . . 0.0 111.104 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.28 -67.29 0.7 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.87 1.268 . . . . 0.0 112.666 -169.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -93.93 -59.69 1.92 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.126 0.971 . . . . 0.0 111.739 -172.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 60.7 tttp 108.67 121.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 129.563 3.145 . . . . 0.0 111.191 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 31.5 mtt 61.26 143.43 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 128.221 2.608 . . . . 0.0 113.281 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -78.98 87.3 4.8 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.617 1.167 . . . . 0.0 109.04 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -142.72 -174.85 4.27 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.848 1.659 . . . . 0.0 109.98 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.9 p -70.91 -70.46 0.3 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.137 0.975 . . . . 0.0 109.72 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -85.94 61.02 6.59 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.53 1.532 . . . . 0.0 109.642 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.1 m -59.57 -47.32 86.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.175 1.39 . . . . 0.0 112.145 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.06 -26.88 69.05 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.161 1.385 . . . . 0.0 114.409 -177.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -60.41 -29.38 68.94 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.934 0.788 . . . . 0.0 112.747 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.31 -43.2 82.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.0 0.92 . . . . 0.0 111.817 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.7 mm -58.32 -56.5 15.8 Favored 'Isoleucine or valine' 0 C--N 1.347 0.485 0 C-N-CA 123.798 0.839 . . . . 0.0 109.96 170.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.7 mtt-85 -57.59 -34.3 69.09 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.582 1.153 . . . . 0.0 113.017 -177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.83 -56.68 15.28 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.546 1.138 . . . . 0.0 109.572 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.3 -25.93 68.14 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.683 0.793 . . . . 0.0 112.844 177.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -68.21 -44.72 75.16 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.087 1.355 . . . . 0.0 110.441 174.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -60.1 -41.25 92.12 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.059 1.344 . . . . 0.0 112.401 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -56.99 -46.1 83.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 C-N-CA 124.213 1.005 . . . . 0.0 110.713 174.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -72.94 -67.15 0.59 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.672 1.189 . . . . 0.0 110.361 -177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -64.8 126.4 27.84 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.278 1.431 . . . . 0.0 109.98 -175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -83.12 5.21 23.33 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.375 1.07 . . . . 0.0 113.07 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -147.22 -50.25 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.731 1.612 . . . . 0.0 110.349 177.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.95 84.1 0.8 Allowed Glycine 0 C--N 1.344 0.993 0 C-N-CA 124.808 1.194 . . . . 0.0 111.32 175.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.36 29.33 7.83 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.734 1.614 . . . . 0.0 112.132 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 57.11 48.12 82.22 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.659 1.124 . . . . 0.0 111.323 -175.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -175.87 99.73 0.07 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.34 1.456 . . . . 0.0 108.128 -167.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.2 mt -92.1 114.03 28.42 Favored 'Isoleucine or valine' 0 C--N 1.347 0.482 0 C-N-CA 123.542 0.737 . . . . 0.0 109.389 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.8 t -70.64 147.25 49.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.764 0.826 . . . . 0.0 110.681 173.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.64 -36.59 56.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.334 1.453 . . . . 0.0 112.586 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.7 -50.4 70.4 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.954 1.302 . . . . 0.0 111.93 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -59.44 -36.24 75.54 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.431 1.093 . . . . 0.0 112.629 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mp -65.31 -46.14 81.53 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 123.85 0.86 . . . . 0.0 110.887 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -58.1 -53.96 52.39 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.693 0.797 . . . . 0.0 111.059 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -49.26 -56.55 9.03 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.049 1.739 . . . . 0.0 112.46 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.22 -36.39 74.18 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -174.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 70.0 mtm -71.04 -54.22 11.94 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.851 0.86 . . . . 0.0 110.249 175.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.5 m -55.0 -36.32 65.3 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.093 1.757 . . . . 0.0 112.823 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -45.52 -44.19 12.4 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 127.034 2.134 . . . . 0.0 113.391 -176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -56.97 8.99 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.099 0.959 . . . . 0.0 110.309 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 153.28 60.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.135 1.35 . . . . 0.0 109.849 177.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -132.25 85.18 2.21 Favored 'General case' 0 C--N 1.345 0.377 0 C-N-CA 125.07 1.348 . . . . 0.0 109.237 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.95 70.74 10.01 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.576 1.151 . . . . 0.0 109.383 178.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 97.7 mt -108.61 141.83 39.97 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.932 1.693 . . . . 0.0 109.4 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 60.2 p -62.75 143.97 56.93 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.848 1.259 . . . . 0.0 112.069 -173.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.62 -19.69 60.79 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.923 1.289 . . . . 0.0 113.543 -174.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -53.23 -37.48 62.09 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.828 1.251 . . . . 0.0 113.086 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -61.47 -48.33 81.6 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.56 0.618 . . . . 0.0 111.044 173.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 14.1 t -51.77 -49.79 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 C-N-CA 125.171 1.388 . . . . 0.0 111.097 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -59.62 -41.22 89.91 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.296 1.038 . . . . 0.0 111.849 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -63.59 -57.57 9.68 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.963 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . 0.286 0.0 OUTLIER -67.83 -12.37 60.49 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 94.9 mt -74.73 -55.7 11.13 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 C-N-CA 123.955 0.902 . . . . 0.0 108.715 163.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -50.76 -40.71 55.55 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.512 1.925 . . . . 0.0 113.744 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -52.6 -30.33 30.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.095 1.358 . . . . 0.0 113.758 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -135.02 33.49 3.14 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 118.937 0.79 . . . . 0.0 112.277 172.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -72.46 139.78 47.9 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.027 0.931 . . . . 0.0 110.605 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 84.1 mt -119.45 -58.12 3.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 126.198 1.799 . . . . 0.0 108.785 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -54.85 -52.8 61.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.607 1.563 . . . . 0.0 113.389 -174.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.66 34.25 0.09 OUTLIER Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.861 1.22 . . . . 0.0 112.3 176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 26.8 t70 55.59 57.05 5.61 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.491 1.916 . . . . 0.0 111.622 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.38 -70.76 0.45 Allowed Glycine 0 C--N 1.342 0.875 0 N-CA-C 109.056 -1.618 . . . . 0.0 109.056 177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -137.49 146.14 43.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.261 1.424 . . . . 0.0 109.273 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.15 96.77 4.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 125.553 1.541 . . . . 0.0 108.864 -177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -66.17 163.38 17.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.318 0.647 . . . . 0.0 111.589 169.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -58.7 -43.05 89.95 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.46 1.104 . . . . 0.0 112.113 -174.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -61.02 -47.58 85.75 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.047 0.939 . . . . 0.0 109.589 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.46 -44.03 80.15 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.468 1.107 . . . . 0.0 110.973 172.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -56.93 -41.35 78.04 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.591 1.556 . . . . 0.0 112.258 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.6 t -67.06 -56.41 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -52.8 -41.35 64.05 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.271 1.828 . . . . 0.0 114.561 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -65.54 -30.76 71.55 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.432 1.015 . . . . 0.0 113.42 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 60.1 mtt -84.02 -41.83 16.82 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.988 1.315 . . . . 0.0 110.937 175.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 52.1 m -68.4 -63.63 1.02 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.286 1.834 . . . . 0.0 111.47 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 27.3 68.82 0.06 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 128.544 2.738 . . . . 0.0 113.707 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt . . . . . 0 C--O 1.248 1.02 0 C-N-CA 126.649 1.98 . . . . 0.0 112.049 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.059 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.3 t -153.93 104.73 2.69 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.416 1.486 . . . . 0.0 108.313 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -87.85 122.84 31.97 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.167 1.387 . . . . 0.0 109.732 -178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.97 152.18 23.14 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.827 1.251 . . . . 0.0 109.3 172.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -80.27 105.96 11.93 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.434 1.094 . . . . 0.0 109.518 -176.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 49.3 p -130.68 172.89 11.46 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.661 1.584 . . . . 0.0 111.004 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -53.51 -36.91 62.25 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.646 1.178 . . . . 0.0 112.208 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.6 m -53.17 -55.43 24.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.529 1.532 . . . . 0.0 110.757 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -62.96 -45.12 93.94 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.607 1.563 . . . . 0.0 111.278 -177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 72.8 t -58.17 -42.78 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.505 1.122 . . . . 0.0 111.551 176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.45 -41.9 96.29 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.83 0.852 . . . . 0.0 110.523 177.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -45.57 89.74 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.298 1.039 . . . . 0.0 111.788 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.1 mm-40 -53.87 -45.07 70.9 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.118 1.367 . . . . 0.0 111.583 172.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.4 -51.69 66.54 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.7 1.2 . . . . 0.0 111.294 177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -39.61 84.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.533 1.133 . . . . 0.0 112.363 -176.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 99.1 m -57.9 -53.29 59.93 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.568 1.147 . . . . 0.0 109.576 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.45 -24.72 67.59 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.123 1.369 . . . . 0.0 113.916 174.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 2.8 t90 -75.6 -31.57 59.98 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.811 1.244 . . . . 0.0 111.446 175.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -68.79 -42.32 77.53 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.309 1.043 . . . . 0.0 110.806 168.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -57.97 -32.95 68.35 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.19 1.396 . . . . 0.0 113.969 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.95 -44.19 91.38 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 119.843 1.202 . . . . 0.0 110.342 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.3 -49.14 84.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 C-N-CA 123.376 0.67 . . . . 0.0 110.287 177.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.16 -49.69 51.43 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.802 1.241 . . . . 0.0 111.158 177.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -57.91 -51.36 69.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.439 1.896 . . . . 0.0 111.563 175.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -56.13 -43.79 78.54 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.646 1.578 . . . . 0.0 112.47 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -60.78 -44.9 96.2 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.136 1.374 . . . . 0.0 110.507 173.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -62.59 164.68 7.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.948 1.299 . . . . 0.0 111.446 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.225 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.152 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 70.0 m -149.15 -56.76 0.2 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.52 1.528 . . . . 0.0 109.353 178.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 p-80 -158.51 141.77 14.94 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.658 1.583 . . . . 0.0 109.22 176.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -150.02 152.91 35.63 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.614 1.166 . . . . 0.0 111.104 -178.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -97.53 128.83 44.59 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.303 1.441 . . . . 0.0 109.422 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.6 p -97.65 150.27 21.35 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.991 1.316 . . . . 0.0 108.78 167.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.02 -40.3 95.21 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.571 0.748 . . . . 0.0 111.834 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 48.4 m -49.36 -49.88 42.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.401 1.481 . . . . 0.0 111.942 175.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -50.82 -46.37 59.87 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.777 1.631 . . . . 0.0 112.175 175.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 38.4 t -62.41 -45.85 97.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 C-N-CA 123.595 0.758 . . . . 0.0 110.975 -175.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 tm0? -70.81 -32.15 69.13 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.606 0.763 . . . . 0.0 112.41 175.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tp -63.15 -39.4 94.57 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 119.266 0.939 . . . . 0.0 111.327 174.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -70.66 -20.09 62.74 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.482 1.113 . . . . 0.0 112.673 171.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -84.84 -22.08 29.57 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.816 1.246 . . . . 0.0 111.402 172.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.54 -43.75 83.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.882 1.273 . . . . 0.0 109.009 162.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 21.0 m -59.37 -38.81 81.41 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.579 0.752 . . . . 0.0 111.112 172.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.35 96.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.939 0.896 . . . . 0.0 112.322 173.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.8 m0 -60.38 -43.99 96.07 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.958 0.799 . . . . 0.0 111.082 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -58.91 -48.34 81.78 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.052 1.341 . . . . 0.0 111.905 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -54.37 -54.96 33.51 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.69 1.996 . . . . 0.0 113.106 -176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -62.3 -41.92 98.92 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.092 0.86 . . . . 0.0 112.14 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 84.6 t -58.1 -55.28 23.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 C-N-CA 124.517 1.127 . . . . 0.0 110.218 177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -44.44 -51.34 8.78 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.934 1.693 . . . . 0.0 111.718 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -56.16 20.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.575 1.15 . . . . 0.0 111.23 178.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -62.4 -32.12 72.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.154 1.382 . . . . 0.0 113.461 -172.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -50.76 -49.72 57.42 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.275 1.43 . . . . 0.0 111.389 173.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -73.19 101.82 3.45 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.228 1.011 . . . . 0.0 110.085 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? . . . . . 0 C--O 1.251 1.171 0 C-N-CA 126.224 1.81 . . . . 0.0 108.097 173.671 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -76.34 162.27 28.03 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.75 1.22 . . . . 0.0 111.353 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -130.37 114.79 16.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.753 1.621 . . . . 0.0 108.825 -177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.89 -54.45 10.02 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.915 1.286 . . . . 0.0 111.597 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 m -128.69 147.3 50.74 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.778 1.231 . . . . 0.0 110.168 -166.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -54.85 -29.38 55.06 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.155 1.782 . . . . 0.0 112.636 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -36.55 -49.09 0.73 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 128.124 2.57 . . . . 0.0 113.388 173.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -54.94 -52.15 63.87 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.2 mt -50.55 -46.36 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 C-N-CA 124.599 1.16 . . . . 0.0 110.485 175.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.94 78.89 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.025 1.33 . . . . 0.0 112.866 -179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -64.09 -50.83 66.77 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 118.599 0.636 . . . . 0.0 111.32 176.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -61.05 -37.42 82.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.448 0.699 . . . . 0.0 112.655 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.3 mttp -57.76 -59.27 5.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.061 0.945 . . . . 0.0 110.634 169.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -52.96 -50.86 63.22 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.607 1.563 . . . . 0.0 112.262 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.01 -54.5 38.2 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 127.101 2.16 . . . . 0.0 111.484 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -64.69 -43.87 92.13 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.353 1.061 . . . . 0.0 112.162 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.8 m -67.44 -33.95 76.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 112.392 -176.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 tt -55.9 -52.15 65.1 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.193 1.397 . . . . 0.0 109.24 168.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -59.48 -58.44 8.61 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.633 1.573 . . . . 0.0 110.488 -178.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -91.31 84.53 5.63 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.252 1.821 . . . . 0.0 109.379 177.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.1 -31.37 67.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.298 1.039 . . . . 0.0 112.305 172.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.06 -50.43 64.34 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.922 1.689 . . . . 0.0 112.248 -177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.17 -42.71 1.86 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.58 1.086 . . . . 0.0 112.906 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -49.99 -41.21 46.47 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.27 1.428 . . . . 0.0 113.558 -175.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.74 68.94 0.67 Allowed Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.349 1.452 . . . . 0.0 110.837 175.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.9 p -151.97 136.69 17.05 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.587 1.555 . . . . 0.0 109.67 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 51.2 mt -122.8 120.85 61.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 106.198 -1.778 . . . . 0.0 106.198 170.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.9 t -136.47 172.39 13.07 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.882 1.273 . . . . 0.0 111.342 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 46.2 p -55.49 -35.75 65.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.92 1.688 . . . . 0.0 112.501 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -70.84 -41.03 72.02 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.012 1.325 . . . . 0.0 111.217 178.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -64.35 -46.53 83.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.318 1.047 . . . . 0.0 111.048 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.33 -44.82 84.57 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.403 0.681 . . . . 0.0 110.787 170.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.5 -43.92 77.71 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 124.719 1.152 . . . . 0.0 112.734 174.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.2 m -64.09 -55.26 23.34 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.197 1.399 . . . . 0.0 110.476 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 72.3 t -57.16 -50.41 76.65 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 C-N-CA 125.154 1.382 . . . . 0.0 111.256 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -66.05 -46.17 78.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.912 0.885 . . . . 0.0 112.446 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 37.7 ttp85 -66.92 -39.1 87.29 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 119.188 0.903 . . . . 0.0 111.867 178.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 t -56.11 -46.52 79.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.765 1.226 . . . . 0.0 111.289 172.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.0 tp -61.61 -57.73 10.87 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.675 1.19 . . . . 0.0 110.413 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 141.61 51.46 0.04 OUTLIER Glycine 0 CA--C 1.536 1.346 0 C-N-CA 125.652 1.596 . . . . 0.0 112.437 172.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -149.99 136.23 18.86 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.996 1.718 . . . . 0.0 109.295 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -129.41 82.37 67.92 Favored Pre-proline 0 CA--C 1.539 0.555 0 C-N-CA 125.014 1.326 . . . . 0.0 109.606 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.53 -171.79 1.28 Allowed 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 123.758 2.972 . . . . 0.0 111.28 170.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.1 p -73.09 -164.35 0.17 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.77 1.628 . . . . 0.0 111.974 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -109.76 -45.95 3.57 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.402 1.881 . . . . 0.0 109.359 175.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.74 86.26 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.469 1.508 . . . . 0.0 112.447 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.97 -41.59 99.59 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.226 0.61 . . . . 0.0 111.627 176.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.9 -34.45 73.2 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.694 0.679 . . . . 0.0 112.567 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -65.35 -66.4 0.55 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 123.751 0.821 . . . . 0.0 109.7 171.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -60.1 -36.52 77.59 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.486 1.515 . . . . 0.0 113.806 -168.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -62.46 -36.3 82.0 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.151 0.98 . . . . 0.0 112.802 -179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.8 mm -83.69 -57.59 4.33 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.8 1.24 . . . . 0.0 109.085 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -58.82 -13.81 7.17 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.732 1.613 . . . . 0.0 114.317 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -26.15 -47.03 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.005 2.122 . . . . 0.0 112.842 156.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 55' ' ' VAL . 39.2 t -106.06 -2.39 9.91 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 C-N-CA 125.805 1.642 . . . . 0.0 113.344 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -85.33 111.82 20.25 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.704 1.593 . . . . 0.0 110.316 177.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.21 -53.72 51.21 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.555 1.542 . . . . 0.0 110.858 172.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -65.86 -50.37 64.8 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.771 1.628 . . . . 0.0 111.274 177.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.98 50.02 49.84 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 124.722 1.154 . . . . 0.0 113.686 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -74.88 -45.4 43.12 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.924 0.862 . . . . 0.0 110.566 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 150.45 -66.92 0.35 Allowed Glycine 0 CA--C 1.533 1.197 0 C-N-CA 125.875 1.703 . . . . 0.0 110.133 -178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 44.4 p -66.39 148.83 51.3 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.906 1.283 . . . . 0.0 112.32 -176.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.8 mm -107.07 96.95 5.05 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 106.842 -1.54 . . . . 0.0 106.842 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -72.44 178.18 4.16 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.385 0.674 . . . . 0.0 110.801 175.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -49.08 -57.12 12.36 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.758 1.223 . . . . 0.0 112.54 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -62.25 -41.98 31.41 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 122.845 2.363 . . . . 0.0 112.392 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -57.62 -43.15 84.59 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.074 0.95 . . . . 0.0 112.567 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -69.36 -50.92 41.78 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.635 0.652 . . . . 0.0 111.608 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.58 -50.9 40.58 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.33 1.452 . . . . 0.0 110.545 173.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.7 m -59.87 -56.63 19.4 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.571 1.548 . . . . 0.0 111.338 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 40.3 ttp -42.34 -47.99 4.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.958 1.703 . . . . 0.0 112.552 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 16.5 mmt -79.53 -45.8 18.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.866 1.266 . . . . 0.0 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.46 -86.97 0.08 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.542 1.137 . . . . 0.0 111.343 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -54.68 8.25 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 118.971 0.805 . . . . 0.0 112.529 -171.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? 102.45 120.97 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 129.605 3.162 . . . . 0.0 110.13 -179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.7 mtt 68.12 129.03 0.02 OUTLIER 'General case' 0 C--N 1.346 0.44 0 C-N-CA 128.203 2.601 . . . . 0.0 113.456 -177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -72.13 86.09 1.05 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.572 2.349 . . . . 0.0 108.122 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -153.14 -173.33 4.54 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.175 0.99 . . . . 0.0 110.938 -165.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.5 p -73.92 -82.06 0.06 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.37 1.868 . . . . 0.0 109.387 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.8 65.81 8.53 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.207 1.003 . . . . 0.0 109.11 -176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.1 m -67.79 -49.8 60.42 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.268 1.827 . . . . 0.0 112.169 -170.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.99 -27.45 69.13 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.104 0.962 . . . . 0.0 113.221 -177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.47 -30.18 69.52 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.076 1.35 . . . . 0.0 112.561 176.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.04 -47.95 80.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.947 1.299 . . . . 0.0 111.102 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.8 mm -57.62 -50.91 75.79 Favored 'Isoleucine or valine' 0 C--N 1.344 0.337 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.73 169.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -53.72 -34.7 59.73 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.453 1.101 . . . . 0.0 112.931 -178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -64.13 -51.46 63.82 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.851 1.26 . . . . 0.0 110.602 175.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.06 -31.85 71.5 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.032 0.933 . . . . 0.0 112.628 171.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -68.23 -46.04 71.62 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.781 1.632 . . . . 0.0 110.783 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -48.11 -48.58 33.77 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.435 1.494 . . . . 0.0 111.705 170.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 66.1 t -69.06 -51.22 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.957 1.303 . . . . 0.0 110.677 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -72.03 -65.15 0.81 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 124.644 1.178 . . . . 0.0 109.903 -174.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -77.94 107.51 10.53 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.481 1.112 . . . . 0.0 108.894 174.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -61.74 -36.91 82.35 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.226 0.611 . . . . 0.0 111.665 176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -61.0 -66.06 0.59 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.27 1.028 . . . . 0.0 110.436 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.55 68.89 1.47 Allowed Glycine 0 CA--C 1.531 1.062 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -172.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -149.06 13.72 0.88 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.876 1.271 . . . . 0.0 113.408 -172.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.92 -38.67 3.08 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.19 0.9 . . . . 0.0 112.368 -174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -91.66 106.65 18.63 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.045 1.738 . . . . 0.0 109.756 -178.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 mp -93.18 110.93 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 169.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.0 m -68.28 151.1 47.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 122.925 0.49 . . . . 0.0 110.83 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.26 -40.16 77.1 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.516 1.126 . . . . 0.0 111.811 177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.58 -55.16 32.23 Favored 'General case' 0 C--N 1.346 0.442 0 C-N-CA 124.627 1.171 . . . . 0.0 110.911 172.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -56.14 -36.25 68.06 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.923 1.289 . . . . 0.0 112.881 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.8 mt -66.23 -52.1 51.09 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.479 0.712 . . . . 0.0 111.626 175.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -67.33 -23.04 65.59 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 176.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -61.96 -56.35 20.1 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 124.233 1.013 . . . . 0.0 110.644 175.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.7 -24.74 31.37 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.81 0 C-N-CA 123.651 0.781 . . . . 0.0 112.627 -175.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 56.1 mtt -63.61 -53.15 56.04 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.28 1.032 . . . . 0.0 109.468 167.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.2 m -63.19 -31.21 72.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.176 1.39 . . . . 0.0 112.778 177.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -54.73 -42.52 71.68 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.336 1.455 . . . . 0.0 111.698 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -44.3 71.56 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.74 1.216 . . . . 0.0 110.523 174.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 128.58 44.84 0.2 Allowed Glycine 0 C--N 1.345 1.074 0 C-N-CA 125.793 1.664 . . . . 0.0 111.74 170.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -141.27 109.57 5.88 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.942 1.297 . . . . 0.0 109.402 -172.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -85.6 113.29 21.72 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.668 1.187 . . . . 0.0 109.316 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.2 mp -136.38 153.33 51.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.878 1.671 . . . . 0.0 108.465 167.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 17.5 m -69.43 131.87 45.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.275 1.03 . . . . 0.0 111.03 -171.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -83.72 10.06 10.27 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.084 1.354 . . . . 0.0 114.564 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -62.43 -38.75 90.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.951 1.3 . . . . 0.0 111.129 171.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -60.08 -45.0 94.35 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.128 1.771 . . . . 0.0 111.336 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.31 -51.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.346 0.443 0 C-N-CA 124.969 1.307 . . . . 0.0 110.763 175.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -54.52 -48.81 71.49 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.096 0.958 . . . . 0.0 111.803 179.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -52.59 -62.63 1.52 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.647 1.179 . . . . 0.0 111.764 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -68.37 -11.76 60.09 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 86.1 mt -70.61 -61.93 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.346 0.417 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 162.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -61.54 -17.74 56.19 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -57.57 -36.79 72.14 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.821 1.191 . . . . 0.0 111.483 168.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.37 66.65 1.23 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.195 0.998 . . . . 0.0 110.445 174.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.52 101.8 8.67 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.949 1.7 . . . . 0.0 107.866 171.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.63 -55.47 14.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 126.321 1.849 . . . . 0.0 110.724 -175.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.74 -62.11 1.77 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.481 1.512 . . . . 0.0 112.186 -171.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 87.95 90.35 1.08 Allowed Glycine 0 CA--C 1.529 0.962 0 N-CA-C 110.036 -1.225 . . . . 0.0 110.036 -175.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 52.1 p30 -152.48 -10.79 0.18 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.249 1.42 . . . . 0.0 113.528 175.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 112.29 -69.82 0.22 Allowed Glycine 0 C--N 1.345 1.08 0 N-CA-C 108.971 -1.652 . . . . 0.0 108.971 -168.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.18 175.8 0.39 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.487 1.515 . . . . 0.0 113.286 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -123.25 102.45 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.704 1.601 . . . . 0.0 107.437 -177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -59.38 168.49 1.5 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.447 1.099 . . . . 0.0 112.549 175.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -56.1 -45.17 79.54 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.04 1.736 . . . . 0.0 111.831 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.74 -46.21 69.45 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.727 1.211 . . . . 0.0 111.833 175.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -57.88 -36.1 71.91 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.531 1.132 . . . . 0.0 111.94 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -63.93 -44.66 92.23 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.231 1.412 . . . . 0.0 112.392 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.0 -55.59 18.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 124.341 1.057 . . . . 0.0 110.063 176.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -60.63 -36.87 79.71 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.938 1.295 . . . . 0.0 112.317 -174.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 37.3 ttm -48.68 -50.07 34.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.696 1.998 . . . . 0.0 111.438 168.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.22 -63.42 1.16 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.51 1.524 . . . . 0.0 110.176 175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 t -94.01 55.08 2.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.968 1.307 . . . . 0.0 111.151 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -71.07 89.09 0.8 Allowed 'General case' 0 C--N 1.346 0.415 0 C-N-CA 124.59 1.156 . . . . 0.0 110.865 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt . . . . . 0 C--O 1.251 1.161 0 C-N-CA 126.195 1.798 . . . . 0.0 107.467 177.8 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.144 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -126.74 154.27 44.4 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.602 1.561 . . . . 0.0 110.179 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -160.06 122.55 3.37 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.66 1.184 . . . . 0.0 109.629 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -139.31 111.82 7.68 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.348 1.859 . . . . 0.0 107.65 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -79.87 84.45 5.65 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.673 1.189 . . . . 0.0 108.21 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 61.2 p -125.43 161.31 27.36 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.928 1.691 . . . . 0.0 110.962 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -52.77 -43.89 66.14 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.502 1.521 . . . . 0.0 111.926 176.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.9 p -54.64 -48.28 72.47 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.921 1.288 . . . . 0.0 112.05 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.88 -50.37 72.5 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.078 1.351 . . . . 0.0 111.464 178.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.62 -53.19 33.95 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 C-N-CA 125.068 1.347 . . . . 0.0 110.831 176.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -63.17 -31.73 72.95 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.426 1.49 . . . . 0.0 112.802 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -69.66 -51.37 35.29 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.954 0.797 . . . . 0.0 110.496 173.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -56.52 -35.1 67.66 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.704 0.802 . . . . 0.0 111.816 174.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 13.0 tmm? -65.96 -51.45 58.33 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.448 1.499 . . . . 0.0 110.643 174.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.3 tp -63.67 -29.18 46.62 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.547 0.739 . . . . 0.0 112.235 179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 88.3 m -70.28 -52.68 21.06 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 124.664 1.186 . . . . 0.0 110.136 176.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.67 -32.8 73.0 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.448 0.699 . . . . 0.0 112.116 174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -61.21 -31.69 71.45 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.035 0.934 . . . . 0.0 110.926 172.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 10.1 ttpp -69.48 -37.86 77.44 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.264 1.026 . . . . 0.0 111.742 170.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.72 -40.01 93.54 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.183 0.993 . . . . 0.0 112.132 174.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -46.49 -51.98 14.19 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.753 1.221 . . . . 0.0 111.203 172.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 44.2 t -60.86 -48.35 89.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.683 0.793 . . . . 0.0 110.929 178.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -59.69 -49.22 78.6 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.587 1.155 . . . . 0.0 111.706 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -49.49 -51.71 34.34 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.576 1.951 . . . . 0.0 111.589 174.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -70.02 -35.08 74.06 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.47 1.108 . . . . 0.0 112.315 -178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -129.5 72.58 1.48 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.201 1.4 . . . . 0.0 110.184 -169.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -153.01 110.34 3.52 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.395 1.478 . . . . 0.0 108.321 173.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.305 1.442 . . . . 0.0 109.04 179.63 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.169 0 CA-C-O 120.202 -0.221 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 69.5 p -94.46 81.14 3.92 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.271 1.429 . . . . 0.0 110.375 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 79.9 m-70 -82.0 169.49 16.68 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.004 1.322 . . . . 0.0 111.529 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.03 45.36 2.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.93 1.692 . . . . 0.0 110.439 175.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -142.19 126.47 17.58 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 126.258 1.823 . . . . 0.0 108.61 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 77.8 p -96.74 151.91 19.18 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.482 1.113 . . . . 0.0 110.905 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -62.55 -34.87 77.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.893 1.277 . . . . 0.0 111.551 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 90.5 p -55.96 -49.46 73.48 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.393 1.077 . . . . 0.0 111.891 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -58.76 -44.86 90.7 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.27 1.028 . . . . 0.0 112.15 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 55.9 t -54.84 -52.34 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.486 1.114 . . . . 0.0 110.564 177.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -46.21 82.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.39 1.476 . . . . 0.0 111.688 -177.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 9.8 tt -61.96 -48.11 81.85 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.508 1.523 . . . . 0.0 111.657 -178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -69.93 -25.64 63.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.731 0.813 . . . . 0.0 112.254 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 8.2 ttt -65.45 -41.12 93.78 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.965 1.306 . . . . 0.0 111.638 167.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -66.65 -31.38 53.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.906 0 C-N-CA 123.795 0.838 . . . . 0.0 110.898 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -66.26 -37.46 85.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.803 0.841 . . . . 0.0 110.568 170.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.59 71.7 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.445 1.098 . . . . 0.0 112.359 173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 46.3 m0 -61.39 -49.17 77.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.097 0.559 . . . . 0.0 110.078 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.49 -42.57 64.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.573 1.149 . . . . 0.0 111.864 172.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -63.95 -52.78 58.11 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.257 1.023 . . . . 0.0 111.878 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -60.32 -37.94 82.17 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.042 0.837 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 93.4 t -58.65 -48.53 85.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.209 1.004 . . . . 0.0 110.862 173.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -53.64 -45.53 70.21 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.889 1.276 . . . . 0.0 111.897 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -62.89 -59.94 4.15 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.062 1.345 . . . . 0.0 111.351 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -64.16 -17.4 63.46 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -51.04 -50.01 59.44 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.911 1.284 . . . . 0.0 110.126 175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.08 142.11 47.58 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.139 0.975 . . . . 0.0 109.963 168.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.033 0 C-N-CA 125.602 1.561 . . . . 0.0 109.968 -175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 111.374 0.138 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -60.74 -49.84 75.88 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.355 1.462 . . . . 0.0 111.277 174.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -62.38 139.56 58.55 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.238 1.415 . . . . 0.0 111.368 -176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.5 pp -146.23 160.44 41.98 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.963 1.705 . . . . 0.0 110.08 -178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.4 m -107.68 141.04 39.8 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.562 1.145 . . . . 0.0 110.083 -170.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -59.59 -24.85 64.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.23 1.812 . . . . 0.0 113.5 -178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -44.48 -42.02 6.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.706 2.003 . . . . 0.0 112.633 173.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -62.28 -51.19 68.69 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.582 1.153 . . . . 0.0 110.999 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 79.0 mt -56.74 -46.87 83.29 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 125.059 1.344 . . . . 0.0 110.226 177.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.92 -45.09 82.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.472 1.509 . . . . 0.0 112.442 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -57.35 -56.06 26.76 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.683 1.193 . . . . 0.0 110.777 178.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -62.92 -37.13 85.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.437 1.095 . . . . 0.0 112.765 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -57.92 -54.61 45.0 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.276 1.03 . . . . 0.0 110.59 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -57.26 -49.44 76.06 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.938 1.295 . . . . 0.0 111.118 177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.41 40.34 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.941 1.296 . . . . 0.0 111.768 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -54.42 -50.21 68.14 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.185 1.394 . . . . 0.0 112.003 175.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 50.9 m -59.06 -30.17 67.86 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.642 1.177 . . . . 0.0 112.657 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.9 tt -61.71 -53.8 51.14 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.28 1.432 . . . . 0.0 110.059 177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -59.4 -54.12 50.37 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.774 1.23 . . . . 0.0 110.691 173.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -87.62 75.18 9.09 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.701 1.201 . . . . 0.0 110.133 -175.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -35.25 76.76 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.173 0.989 . . . . 0.0 111.495 172.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -52.69 -49.66 64.86 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.339 1.855 . . . . 0.0 112.304 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 105.13 -17.27 44.67 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.815 1.197 . . . . 0.0 113.461 -177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -56.48 -42.28 77.99 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.444 1.497 . . . . 0.0 112.192 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.79 49.36 4.85 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.924 1.25 . . . . 0.0 111.004 -177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.8 p -143.76 83.22 1.75 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.303 1.441 . . . . 0.0 108.165 174.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.94 107.12 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.622 1.569 . . . . 0.0 108.781 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t -119.67 174.94 6.11 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.4 1.48 . . . . 0.0 111.189 -174.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 68.8 p -59.13 -43.61 92.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.611 1.565 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -56.05 -49.69 73.04 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.957 1.303 . . . . 0.0 111.586 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.66 -45.34 94.42 Favored 'General case' 0 C--N 1.347 0.496 0 C-N-CA 124.653 1.181 . . . . 0.0 111.801 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD11 ' CG2' ' C' ' 15' ' ' ILE . 0.4 OUTLIER -51.07 -51.97 48.01 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.695 1.198 . . . . 0.0 109.543 175.25 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -53.91 31.22 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.398 1.475 . . . . 0.0 112.167 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.6 m -52.67 -45.0 66.57 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.536 1.535 . . . . 0.0 112.51 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 79.7 t -53.7 -53.81 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 C-N-CA 124.295 1.038 . . . . 0.0 111.402 177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 41.3 mtt -69.31 -37.36 77.72 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.277 0.631 . . . . 0.0 112.681 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -60.09 -54.37 46.75 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.919 1.288 . . . . 0.0 110.113 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.8 t -48.27 -45.92 35.17 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.235 1.814 . . . . 0.0 112.536 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.6 tp -63.16 -63.0 1.32 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.142 0.977 . . . . 0.0 110.382 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.92 45.75 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.99 1.281 . . . . 0.0 112.411 172.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -145.73 141.63 28.2 Favored 'General case' 0 C--N 1.345 0.371 0 C-N-CA 125.534 1.534 . . . . 0.0 109.405 175.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -113.37 88.68 13.33 Favored Pre-proline 0 CA--C 1.541 0.612 0 C-N-CA 125.009 1.324 . . . . 0.0 109.459 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -71.67 138.69 32.49 Favored 'Trans proline' 0 CA--C 1.539 0.739 0 C-N-CA 123.397 2.731 . . . . 0.0 111.202 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.4 m -67.19 138.4 56.95 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.373 1.469 . . . . 0.0 111.177 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -57.11 -44.24 83.05 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.429 1.492 . . . . 0.0 113.546 -174.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.28 -43.89 71.42 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.779 1.232 . . . . 0.0 111.683 177.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.82 -51.86 66.52 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.066 1.346 . . . . 0.0 110.987 177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 HD22 HD12 ' A' ' 32' ' ' LEU . 73.4 mt -50.1 -39.02 41.42 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 125.781 1.632 . . . . 0.0 113.55 -176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.92 -68.65 0.37 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.69 0.677 . . . . 0.0 110.195 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -48.75 -44.47 38.58 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.363 1.465 . . . . 0.0 113.732 -171.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.54 -46.95 73.69 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.3 mt -74.41 -41.86 49.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.964 0.906 . . . . 0.0 109.764 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -72.18 -9.74 58.85 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -21.27 62.01 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.565 1.075 . . . . 0.0 112.698 161.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG13 ' H ' ' A' ' 76' ' ' MET . 48.4 t -120.13 -24.65 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 125.189 1.396 . . . . 0.0 112.301 -175.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -61.63 106.56 0.68 Allowed 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.335 0.971 . . . . 0.0 109.296 175.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.87 94.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.732 1.213 . . . . 0.0 111.889 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -63.22 -44.39 95.42 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.141 0.976 . . . . 0.0 111.607 172.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.51 47.77 48.19 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.134 0.873 . . . . 0.0 111.305 -173.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.55 25.98 9.69 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.676 1.59 . . . . 0.0 112.57 -178.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.36 -72.18 2.85 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -178.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 72.5 p -63.56 154.36 32.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.711 1.604 . . . . 0.0 112.835 -174.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.83 110.04 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 126.028 1.731 . . . . 0.0 107.331 168.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -76.84 -174.13 2.93 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.261 1.425 . . . . 0.0 110.589 176.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -54.34 55.44 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 112.274 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.56 -44.84 41.78 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 124.225 3.283 . . . . 0.0 112.592 176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -68.34 -26.27 65.52 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.102 1.361 . . . . 0.0 112.124 179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -74.9 -42.97 56.78 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 124.348 1.059 . . . . 0.0 111.29 173.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 83.9 mt -57.18 -42.7 81.65 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.508 0.723 . . . . 0.0 110.06 172.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.0 m -58.12 -49.49 76.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.172 0.989 . . . . 0.0 110.817 168.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -65.87 0.53 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.57 1.148 . . . . 0.0 111.623 -174.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mmt -61.5 -57.74 10.95 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.199 0.999 . . . . 0.0 112.442 -174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.86 -61.19 2.06 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.49 0.716 . . . . 0.0 112.276 -170.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -71.56 -61.54 1.74 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.37 1.068 . . . . 0.0 109.525 -172.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? 82.08 127.82 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.09 2.156 . . . . 0.0 111.636 168.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.444 ' H ' HG13 ' A' ' 55' ' ' VAL . 0.7 OUTLIER 96.88 146.96 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 129.681 3.193 . . . . 0.0 111.343 179.408 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -75.42 65.56 1.71 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.892 2.077 . . . . 0.0 113.325 -166.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -148.43 161.91 40.64 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.628 1.971 . . . . 0.0 109.353 170.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.0 p -62.39 -69.86 0.23 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.975 1.31 . . . . 0.0 111.053 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -89.44 60.39 5.18 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.243 1.417 . . . . 0.0 109.443 -175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 89.0 p -93.81 17.21 12.42 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 -170.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -79.47 -43.13 23.8 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.908 1.283 . . . . 0.0 110.444 168.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -56.3 -30.29 62.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.257 1.023 . . . . 0.0 112.084 169.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -68.19 -30.66 69.81 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.323 1.049 . . . . 0.0 112.25 176.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 mm -75.09 -37.01 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.754 0.822 . . . . 0.0 111.635 171.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -60.52 -42.87 97.33 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.34 0.973 . . . . 0.0 110.821 170.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -58.79 -52.56 65.21 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.126 1.37 . . . . 0.0 110.233 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.75 -30.62 67.65 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.076 0.95 . . . . 0.0 113.318 175.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -53.11 61.43 Favored 'General case' 0 C--N 1.344 0.358 0 C-N-CA 124.338 1.055 . . . . 0.0 109.939 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -66.44 -26.11 67.06 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 71.5 t -68.45 -59.67 3.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.776 1.23 . . . . 0.0 109.873 172.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -68.84 -72.04 0.2 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.617 1.167 . . . . 0.0 110.022 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -73.64 131.67 41.92 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.833 1.653 . . . . 0.0 110.05 -178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -91.77 49.03 1.51 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.209 1.004 . . . . 0.0 111.48 -170.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -176.08 -55.91 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.803 1.641 . . . . 0.0 110.343 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.73 76.02 0.81 Allowed Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.733 1.159 . . . . 0.0 111.573 -178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.5 p-10 -126.13 29.37 5.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.371 1.469 . . . . 0.0 112.592 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 59.78 42.25 97.95 Favored Glycine 0 CA--C 1.532 1.123 0 C-N-CA 124.287 0.946 . . . . 0.0 113.05 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -163.26 131.87 3.88 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 127.221 2.209 . . . . 0.0 108.35 174.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.0 mt -120.28 100.58 9.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 124.919 1.288 . . . . 0.0 107.837 177.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.4 t -66.28 159.39 26.72 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.597 0.759 . . . . 0.0 111.498 179.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.87 -46.43 84.84 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.645 1.178 . . . . 0.0 111.55 174.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.35 -35.93 70.54 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.675 1.59 . . . . 0.0 112.963 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -84.3 -26.4 28.57 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.304 1.442 . . . . 0.0 111.984 -176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.9 -34.24 26.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.38 1.472 . . . . 0.0 111.276 176.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -69.97 -30.78 68.21 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.318 -0.864 . . . . 0.0 112.466 176.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -59.66 -53.97 51.85 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 125.188 1.395 . . . . 0.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.73 -38.64 35.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.36 0.664 . . . . 0.0 111.592 174.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 65.1 mtp -69.35 -24.74 63.94 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.265 1.026 . . . . 0.0 113.494 172.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 28.1 m -75.83 -33.55 60.08 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.951 1.25 . . . . 0.0 111.647 176.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 -61.45 -56.04 24.56 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.916 0.78 . . . . 0.0 110.872 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.2 pp -74.55 -39.37 62.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.338 1.055 . . . . 0.0 112.488 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -90.35 -47.56 3.76 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.401 1.477 . . . . 0.0 113.243 -170.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 66.39 84.14 0.16 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.064 1.746 . . . . 0.0 110.422 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? 76.84 90.25 0.07 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.733 2.013 . . . . 0.0 109.847 175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 90.2 mt -133.27 150.65 51.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.859 1.664 . . . . 0.0 109.941 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.04 111.07 11.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.44 1.096 . . . . 0.0 110.037 178.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -81.77 19.72 1.04 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.013 1.325 . . . . 0.0 113.968 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.39 -36.61 60.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.826 1.25 . . . . 0.0 111.334 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -62.32 -42.27 99.24 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.695 0.798 . . . . 0.0 110.565 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.01 -50.42 78.09 Favored 'Isoleucine or valine' 0 C--N 1.345 0.375 0 C-N-CA 124.231 1.012 . . . . 0.0 110.316 175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -56.51 -44.61 80.9 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.643 1.177 . . . . 0.0 112.041 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -54.62 43.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.466 1.106 . . . . 0.0 111.305 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -75.79 -9.43 58.59 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -175.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 76.8 mt -72.3 -56.35 10.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 56.4 mmt-85 -57.0 -23.28 45.02 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.786 1.634 . . . . 0.0 114.625 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -50.9 -40.13 56.02 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.438 1.095 . . . . 0.0 111.838 172.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.58 72.2 1.23 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.465 1.106 . . . . 0.0 108.885 172.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -102.59 95.35 6.17 Favored 'General case' 0 C--N 1.344 0.332 0 C-N-CA 124.6 1.16 . . . . 0.0 108.198 171.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 99.5 mt -64.41 -56.1 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 124.594 1.158 . . . . 0.0 109.625 178.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -62.22 -44.11 97.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.42 1.088 . . . . 0.0 112.356 -174.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.84 65.73 2.31 Favored Glycine 0 C--N 1.343 0.939 0 N-CA-C 110.112 -1.195 . . . . 0.0 110.112 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 44.9 p-10 -151.33 6.33 0.48 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.729 1.212 . . . . 0.0 113.514 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.62 32.56 83.82 Favored Glycine 0 CA--C 1.537 1.417 0 C-N-CA 124.448 1.023 . . . . 0.0 113.262 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -134.22 175.31 9.62 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.119 1.768 . . . . 0.0 109.988 174.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 37.3 t -136.36 98.45 1.82 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 124.366 1.066 . . . . 0.0 109.306 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -65.09 170.98 3.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.539 1.535 . . . . 0.0 111.729 173.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -58.99 -54.72 43.92 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.081 0.953 . . . . 0.0 111.41 177.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -56.32 -47.54 78.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.126 0.97 . . . . 0.0 111.29 174.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.2 -44.5 92.24 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.729 0.812 . . . . 0.0 112.007 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -55.14 -47.73 74.68 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 126.6 1.96 . . . . 0.0 111.735 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 79.9 t -58.47 -56.64 15.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 C-N-CA 123.392 0.677 . . . . 0.0 109.631 175.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 20.0 mm100 -63.19 -31.69 72.9 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -169.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 13.9 ptp -65.79 -37.65 86.88 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.896 1.225 . . . . 0.0 112.491 175.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 65.7 mtt -78.88 -37.43 40.21 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.053 1.341 . . . . 0.0 111.361 172.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 9.9 m -103.2 60.77 0.77 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.652 2.381 . . . . 0.0 107.452 -177.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -89.5 73.38 7.82 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.288 1.035 . . . . 0.0 109.575 -171.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.181 0 C-N-CA 125.035 1.334 . . . . 0.0 111.598 -175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.239 0 N-CA-C 112.894 -0.082 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -65.74 116.42 6.92 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.684 1.193 . . . . 0.0 110.358 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -150.93 158.68 44.45 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.681 1.192 . . . . 0.0 111.316 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -125.92 163.19 23.51 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.021 2.128 . . . . 0.0 111.091 -169.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.8 mptt 56.55 64.8 1.57 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 110.386 -174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 63.8 p -97.83 160.72 14.13 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.538 1.535 . . . . 0.0 111.283 -177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -56.4 -46.39 80.17 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.535 1.134 . . . . 0.0 111.246 168.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 42.6 m -56.43 -59.07 5.51 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.456 1.502 . . . . 0.0 111.291 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -49.8 -46.41 50.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.716 1.606 . . . . 0.0 112.991 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.6 t -54.01 -61.67 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.593 1.157 . . . . 0.0 110.88 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -75.58 -14.85 60.41 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 tt -70.84 -53.57 14.76 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.971 1.308 . . . . 0.0 109.077 172.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.06 -37.54 64.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.621 1.168 . . . . 0.0 111.712 172.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 39.0 ttp -62.34 -60.86 2.95 Favored 'General case' 0 C--N 1.345 0.385 0 C-N-CA 124.733 1.213 . . . . 0.0 111.568 176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -58.18 -37.0 59.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.521 1.128 . . . . 0.0 111.773 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.7 m -55.69 -51.44 67.26 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.757 1.223 . . . . 0.0 110.954 173.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.79 71.25 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.048 1.339 . . . . 0.0 113.312 177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 12.9 t90 -66.99 -46.12 75.55 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.442 1.497 . . . . 0.0 110.509 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -53.74 -36.65 62.53 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.445 1.498 . . . . 0.0 111.774 168.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.0 tmtp? -72.9 -28.66 62.61 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.072 1.749 . . . . 0.0 113.45 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -44.86 92.19 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-N 120.419 1.463 . . . . 0.0 110.696 176.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 60.0 t -58.64 -45.08 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.958 1.303 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -57.2 -36.24 70.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.822 1.249 . . . . 0.0 112.102 178.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -73.29 -48.36 35.24 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.475 1.11 . . . . 0.0 110.607 173.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -30.47 69.56 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.095 1.758 . . . . 0.0 112.725 -178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -49.39 -51.88 32.13 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.243 1.817 . . . . 0.0 110.789 174.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -64.34 129.06 38.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.464 1.106 . . . . 0.0 109.971 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.415 -1.278 . . . . 0.0 108.019 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.076 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -152.23 139.51 19.4 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.72 1.208 . . . . 0.0 109.702 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -161.92 -57.44 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.608 1.563 . . . . 0.0 108.436 -176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -100.41 -178.45 3.81 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.659 1.984 . . . . 0.0 111.409 179.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmmt 60.67 57.68 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.065 1.746 . . . . 0.0 110.228 -173.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 45.6 p -80.8 159.71 25.05 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.867 1.267 . . . . 0.0 111.486 -175.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -60.3 -48.35 82.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.781 1.232 . . . . 0.0 110.448 173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 36.8 t -45.67 -45.18 13.95 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.661 1.584 . . . . 0.0 112.288 174.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.25 -43.85 75.01 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.785 1.234 . . . . 0.0 112.396 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.59 -55.31 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.118 0.967 . . . . 0.0 111.098 -174.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -63.83 -37.18 86.44 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.398 0.679 . . . . 0.0 112.205 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -63.46 -44.15 95.32 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.288 1.035 . . . . 0.0 111.115 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -72.76 -17.53 61.58 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.223 1.409 . . . . 0.0 113.567 174.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -78.64 -33.76 47.02 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.134 1.374 . . . . 0.0 110.361 170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . 0.433 ' CG2' HD11 ' A' ' 32' ' ' LEU . 63.2 mt -72.74 -26.37 23.59 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.968 0 C-N-CA 125.333 1.453 . . . . 0.0 111.109 168.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 28.1 m -69.94 -46.43 65.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.228 -0.92 . . . . 0.0 110.229 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.09 -41.55 60.04 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.328 1.451 . . . . 0.0 112.486 172.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 39.5 m0 -52.0 -54.18 32.9 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.073 0.949 . . . . 0.0 111.542 172.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -53.75 -46.99 71.09 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.634 1.174 . . . . 0.0 112.095 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.55 -54.5 40.48 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.54 1.136 . . . . 0.0 112.205 178.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.25 -41.5 96.93 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 118.719 0.691 . . . . 0.0 111.852 -174.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.0 t -58.17 -49.53 81.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 123.865 0.866 . . . . 0.0 110.366 174.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -50.94 -47.41 61.04 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.379 1.472 . . . . 0.0 112.217 176.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -61.33 -54.88 38.19 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.205 1.002 . . . . 0.0 111.427 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 tptt -62.12 -40.09 94.74 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.214 1.005 . . . . 0.0 112.324 -173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -52.91 -51.05 62.63 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.759 1.624 . . . . 0.0 111.469 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -64.37 111.01 2.45 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.195 1.398 . . . . 0.0 109.863 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmp? . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.844 1.257 . . . . 0.0 108.757 -179.195 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -83.94 -62.76 1.49 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.693 1.197 . . . . 0.0 110.582 -176.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -144.05 103.32 4.0 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.684 1.194 . . . . 0.0 108.072 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.03 126.33 30.91 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.217 1.407 . . . . 0.0 109.629 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -115.19 146.15 41.69 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.302 1.441 . . . . 0.0 110.197 -177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -70.66 -15.63 62.74 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.008 1.723 . . . . 0.0 113.54 -178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -53.82 -46.28 71.09 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.537 1.535 . . . . 0.0 112.361 -178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -55.61 -54.24 46.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.514 1.125 . . . . 0.0 111.063 174.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.4 mt -55.08 -48.97 75.42 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.71 1.604 . . . . 0.0 110.685 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.41 -52.84 63.74 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.499 1.52 . . . . 0.0 112.08 178.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -63.14 -48.3 79.08 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.948 1.299 . . . . 0.0 112.043 -178.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -58.56 -40.69 83.77 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.345 1.058 . . . . 0.0 112.105 176.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -57.59 -52.86 63.69 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.026 0.93 . . . . 0.0 110.645 174.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -58.23 -42.26 85.93 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.82 0.848 . . . . 0.0 112.916 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.1 -49.52 68.93 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.173 0.989 . . . . 0.0 112.278 178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -70.71 -50.59 34.69 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.939 1.296 . . . . 0.0 111.892 178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.1 m -57.76 -47.54 82.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.56 1.544 . . . . 0.0 112.794 -174.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.7 tp -60.91 -41.39 96.01 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.743 0.817 . . . . 0.0 111.401 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.18 -50.15 74.31 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.899 1.28 . . . . 0.0 111.514 169.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -80.77 73.36 7.75 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.941 1.297 . . . . 0.0 110.034 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -66.21 -26.55 67.44 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.201 1.4 . . . . 0.0 112.11 174.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.83 -60.58 3.61 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.629 1.572 . . . . 0.0 110.624 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.87 -37.78 2.24 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 124.904 1.24 . . . . 0.0 112.319 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -50.92 -41.82 58.97 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.65 1.58 . . . . 0.0 113.772 -176.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.53 57.82 1.71 Allowed Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.638 1.113 . . . . 0.0 111.772 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.9 p -149.88 119.77 7.13 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.744 1.618 . . . . 0.0 108.66 164.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.9 mm -89.03 110.29 21.27 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 125.168 1.387 . . . . 0.0 108.17 175.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.5 t -115.63 176.69 4.97 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.921 1.688 . . . . 0.0 111.248 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.8 p -64.89 -39.27 93.27 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.266 1.827 . . . . 0.0 112.989 -175.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -53.77 -54.23 41.17 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.983 0.913 . . . . 0.0 111.166 175.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -56.67 -48.26 78.0 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.107 0.963 . . . . 0.0 111.238 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -43.52 79.2 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.457 1.103 . . . . 0.0 110.769 -179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.37 -54.34 38.63 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.959 1.266 . . . . 0.0 111.87 170.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 57.5 m -55.72 -44.47 77.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.273 1.829 . . . . 0.0 112.524 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.01 -61.16 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.623 1.169 . . . . 0.0 109.838 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.8 mtt -56.47 -37.5 70.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.46 1.104 . . . . 0.0 112.428 177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.7 tpt85 -65.47 -49.34 69.45 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.333 1.453 . . . . 0.0 110.903 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 55.8 m -54.2 -54.06 44.98 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.421 1.488 . . . . 0.0 111.045 174.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 99.5 mt -52.59 -66.19 0.43 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.32 1.448 . . . . 0.0 111.101 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.67 54.17 0.01 OUTLIER Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.077 0.846 . . . . 0.0 112.761 170.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -150.69 139.15 20.47 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.994 1.718 . . . . 0.0 109.059 175.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -116.51 82.75 12.62 Favored Pre-proline 0 CA--C 1.54 0.572 0 C-N-CA 124.932 1.293 . . . . 0.0 109.028 -177.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -70.84 157.25 58.8 Favored 'Trans proline' 0 CA--C 1.538 0.703 0 C-N-CA 124.046 3.164 . . . . 0.0 111.819 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -81.59 123.89 29.06 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.397 1.079 . . . . 0.0 109.796 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -58.7 -36.44 74.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.095 1.358 . . . . 0.0 113.727 -171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.99 -51.01 71.41 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.364 1.066 . . . . 0.0 111.281 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.39 -40.36 93.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.257 1.023 . . . . 0.0 112.479 -178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.6 mt -51.22 -53.35 35.94 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 123.919 0.888 . . . . 0.0 111.796 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -58.79 -38.85 79.48 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.799 0.84 . . . . 0.0 112.227 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.09 -45.76 90.04 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.488 0.715 . . . . 0.0 111.594 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 26.0 mtm -43.5 -50.7 7.03 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.547 1.139 . . . . 0.0 111.497 174.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.95 -56.8 11.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 125.887 1.675 . . . . 0.0 110.851 -177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 -61.08 -38.1 85.06 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.204 1.002 . . . . 0.0 113.689 -168.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -49.35 -48.03 46.94 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.258 1.023 . . . . 0.0 111.578 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.6 t -76.9 -53.74 14.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.336 1.454 . . . . 0.0 110.864 -178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -63.11 146.78 52.54 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.387 1.475 . . . . 0.0 112.511 -170.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.57 -71.74 0.4 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.415 1.486 . . . . 0.0 110.908 -177.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 p30 -60.39 -34.62 74.17 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.855 1.262 . . . . 0.0 113.474 -176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.31 53.97 18.96 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 124.78 1.181 . . . . 0.0 112.121 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -90.4 -59.27 2.23 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.231 1.013 . . . . 0.0 109.412 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.11 35.04 2.41 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 126.56 2.029 . . . . 0.0 111.588 -174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 45.8 p -146.42 70.69 1.22 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.842 2.057 . . . . 0.0 107.26 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.2 mm -72.92 96.62 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.345 0 C-N-CA 124.498 1.119 . . . . 0.0 109.581 -170.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -68.84 -179.95 1.61 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.337 1.455 . . . . 0.0 111.22 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -47.91 -60.87 3.62 Favored Pre-proline 0 CA--C 1.546 0.82 0 C-N-CA 125.864 1.666 . . . . 0.0 113.955 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -64.76 -37.98 33.09 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.954 2.436 . . . . 0.0 111.741 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.42 -32.88 72.84 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.867 1.267 . . . . 0.0 112.49 178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -74.37 -42.4 59.4 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 123.644 0.778 . . . . 0.0 110.912 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.3 -28.55 69.4 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.561 0.744 . . . . 0.0 111.828 172.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.3 m -67.32 -61.22 2.02 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 124.166 0.986 . . . . 0.0 109.092 171.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 44.3 ttm -38.87 -52.17 1.75 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.652 1.981 . . . . 0.0 112.643 172.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.6 mmt -68.79 -72.11 0.19 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.477 1.111 . . . . 0.0 111.273 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.6 -51.07 11.26 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.24 1.016 . . . . 0.0 113.265 -165.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -81.74 -64.5 1.17 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.577 0.751 . . . . 0.0 110.961 -172.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? 79.08 143.27 0.08 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.409 1.884 . . . . 0.0 112.465 170.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 12.9 tmm? 76.02 148.15 0.1 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.091 2.556 . . . . 0.0 112.269 -177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -63.18 80.14 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 127.3 2.24 . . . . 0.0 111.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -160.04 160.37 33.13 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.559 1.944 . . . . 0.0 109.776 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.0 p -65.64 -94.89 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.564 1.946 . . . . 0.0 111.64 -176.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -85.13 66.16 9.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.378 1.471 . . . . 0.0 110.558 -174.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.98 21.02 2.06 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.08 1.352 . . . . 0.0 114.12 -169.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -52.34 -43.49 64.65 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.371 0.987 . . . . 0.0 110.612 165.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -64.95 -29.93 70.9 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.854 1.662 . . . . 0.0 113.933 176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -34.84 74.03 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.142 1.337 . . . . 0.0 114.063 -173.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.9 mm -61.49 -49.58 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 CA-C-N 118.869 0.759 . . . . 0.0 110.431 169.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -56.47 -40.74 75.39 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.132 1.373 . . . . 0.0 112.251 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -72.22 -42.92 65.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.105 1.362 . . . . 0.0 111.509 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.78 96.93 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.482 0.713 . . . . 0.0 111.648 172.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -60.96 -56.85 16.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.99 1.316 . . . . 0.0 111.997 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -21.9 66.61 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.002 0.921 . . . . 0.0 113.302 -176.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.2 t -73.3 -51.31 26.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.298 1.039 . . . . 0.0 109.974 168.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -64.09 -71.49 0.17 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.026 0.93 . . . . 0.0 110.089 -177.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -77.3 154.74 32.59 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.544 1.538 . . . . 0.0 110.538 175.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -4.72 59.0 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.916 1.286 . . . . 0.0 114.104 -171.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -154.81 60.57 0.67 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.511 1.05 . . . . 0.0 112.097 -170.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.67 -42.8 2.49 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.26 0.933 . . . . 0.0 113.977 170.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 t30 78.1 36.15 0.24 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.943 2.097 . . . . 0.0 112.546 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -54.92 -39.51 68.75 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 124.721 1.153 . . . . 0.0 111.662 171.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -124.35 118.81 27.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.477 1.911 . . . . 0.0 108.712 173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.1 mt -96.28 91.35 2.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.0 t -73.85 155.87 38.32 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.64 0.776 . . . . 0.0 111.327 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -43.73 79.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.54 1.136 . . . . 0.0 111.762 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.15 -57.67 11.84 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.728 1.211 . . . . 0.0 111.416 173.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -52.18 -41.88 63.01 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.484 1.514 . . . . 0.0 112.737 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 tt -70.93 -47.65 57.9 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.545 1.138 . . . . 0.0 109.861 178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -60.69 -29.55 69.39 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.14 0.576 . . . . 0.0 112.519 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -58.74 -57.17 14.19 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.115 0.87 . . . . 0.0 111.263 172.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . 0.251 9.2 p -56.98 -34.1 43.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 CA-C-N 119.463 1.028 . . . . 0.0 112.73 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.8 mmt -61.51 -37.81 85.07 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.006 0.821 . . . . 0.0 111.93 169.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.1 m -65.88 -36.64 83.98 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.19 0.996 . . . . 0.0 111.486 177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -59.49 -60.74 3.37 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 110.797 176.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp -69.96 -32.82 71.26 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.382 1.073 . . . . 0.0 113.645 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.99 -53.25 0.44 Allowed Glycine 0 CA--C 1.534 1.236 0 C-N-CA 124.799 1.19 . . . . 0.0 113.25 -164.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 80.81 114.39 0.06 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.221 2.208 . . . . 0.0 110.64 -177.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 47.7 tttt 61.16 93.11 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 127.487 2.315 . . . . 0.0 111.699 178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.0 mp -133.27 127.8 34.44 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 125.033 1.333 . . . . 0.0 108.699 177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 71.3 p -67.67 129.39 39.76 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.936 0.895 . . . . 0.0 108.81 176.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -83.9 33.82 0.49 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.775 0.83 . . . . 0.0 112.237 -177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -91.37 -40.95 11.17 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.582 1.153 . . . . 0.0 110.483 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -60.49 -52.55 64.72 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 124.551 1.14 . . . . 0.0 110.65 174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.4 p -58.37 -39.83 75.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.203 1.001 . . . . 0.0 112.313 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -54.07 -46.27 71.96 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.877 1.271 . . . . 0.0 112.02 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -56.82 -64.25 0.94 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.521 0.729 . . . . 0.0 110.591 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ptt? -66.98 -13.78 62.21 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -175.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.52 -60.49 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 163.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -70.6 -1.62 11.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -58.33 -36.86 74.03 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.04 0.836 . . . . 0.0 110.661 161.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.01 67.14 0.86 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.089 0.955 . . . . 0.0 110.587 171.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -103.85 77.66 1.48 Allowed 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.31 -57.59 10.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.249 1.82 . . . . 0.0 111.733 -172.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -56.42 21.62 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.568 1.147 . . . . 0.0 111.032 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.92 82.3 0.5 Allowed Glycine 0 CA--C 1.532 1.149 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.3 p30 -139.24 31.42 2.15 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.174 1.39 . . . . 0.0 111.011 171.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.33 18.81 69.9 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 125.251 1.405 . . . . 0.0 114.135 -174.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -144.59 -179.18 6.4 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.39 1.476 . . . . 0.0 110.278 -178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.6 t -132.96 115.47 24.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 124.979 1.312 . . . . 0.0 107.818 174.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -73.26 169.99 15.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.159 0.983 . . . . 0.0 111.204 175.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -52.31 -53.51 43.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.66 1.184 . . . . 0.0 111.484 176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -53.44 -48.64 68.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.532 1.133 . . . . 0.0 111.714 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.23 -44.65 96.07 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.461 1.504 . . . . 0.0 111.302 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -62.35 -49.35 75.93 Favored 'General case' 0 C--N 1.345 0.373 0 C-N-CA 124.246 1.018 . . . . 0.0 111.466 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.48 -55.54 18.65 Favored 'Isoleucine or valine' 0 C--N 1.345 0.379 0 C-N-CA 123.703 0.801 . . . . 0.0 109.374 174.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -84.86 59.61 5.68 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.505 1.122 . . . . 0.0 110.838 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.8 ttp -151.33 -55.14 0.14 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.686 1.994 . . . . 0.0 107.604 171.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.0 mtt -61.09 -27.65 68.51 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.652 0.781 . . . . 0.0 111.364 159.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.5 m -111.75 51.42 0.79 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.542 1.537 . . . . 0.0 108.986 167.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -77.1 101.29 6.03 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 123.552 0.741 . . . . 0.0 109.003 173.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 16.7 tptt . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.625 -1.179 . . . . 0.0 109.722 177.653 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -91.79 54.09 2.37 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.67 1.188 . . . . 0.0 110.442 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -83.41 -45.02 14.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.353 1.461 . . . . 0.0 110.743 175.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -70.66 153.25 43.02 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.033 1.333 . . . . 0.0 111.417 -176.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -153.2 81.59 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.026 1.33 . . . . 0.0 109.4 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 45.4 p -85.06 176.88 8.14 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.786 1.235 . . . . 0.0 112.347 -174.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -60.3 -48.51 81.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.675 1.19 . . . . 0.0 110.952 171.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.2 m -59.13 -49.78 76.57 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.059 1.744 . . . . 0.0 112.038 177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -60.81 -47.4 86.5 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.3 1.44 . . . . 0.0 112.736 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 76.1 t -57.17 -47.72 83.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 C-N-CA 123.319 0.647 . . . . 0.0 110.647 174.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -65.76 -30.29 70.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.522 1.129 . . . . 0.0 113.004 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 5.9 tt -62.57 -54.88 33.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.251 1.42 . . . . 0.0 109.098 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -54.97 -47.54 74.4 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.394 1.478 . . . . 0.0 112.321 175.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 57.2 mtp -54.77 -66.14 0.46 Allowed 'General case' 0 C--N 1.345 0.395 0 C-N-CA 124.958 1.303 . . . . 0.0 111.441 177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 tt -63.97 -29.94 48.66 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.829 0.852 . . . . 0.0 112.636 -168.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.5 m -64.48 -52.16 59.35 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.83 1.252 . . . . 0.0 110.404 171.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.8 -22.43 66.02 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.218 1.007 . . . . 0.0 113.341 177.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -69.3 -39.98 77.96 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.791 1.636 . . . . 0.0 110.443 173.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -58.47 -37.27 75.16 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.554 1.542 . . . . 0.0 111.612 170.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -60.98 -35.99 78.25 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.861 1.664 . . . . 0.0 112.779 174.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -47.43 82.1 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 118.93 0.786 . . . . 0.0 110.8 177.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.27 -30.22 45.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 123.32 0.648 . . . . 0.0 111.818 176.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -64.56 -37.46 87.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.7 0.8 . . . . 0.0 111.61 172.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.65 -40.16 88.56 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.91 0.884 . . . . 0.0 110.983 170.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -61.02 -31.34 70.97 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.711 1.204 . . . . 0.0 111.874 175.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.94 -17.67 52.58 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.349 1.46 . . . . 0.0 113.666 173.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -80.99 154.52 26.88 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.449 1.1 . . . . 0.0 110.496 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 25.1 tptp . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.223 -1.37 . . . . 0.0 109.862 179.414 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 112.049 -0.42 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -87.19 97.08 10.56 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.192 1.397 . . . . 0.0 109.609 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -157.07 -56.06 0.08 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.032 1.333 . . . . 0.0 110.609 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -114.47 148.49 37.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.266 1.826 . . . . 0.0 109.762 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 49.9 mmtm 54.17 65.12 1.6 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.745 1.618 . . . . 0.0 110.203 -174.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 82.3 p -113.06 152.95 28.92 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 126.416 1.886 . . . . 0.0 109.761 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -55.24 -40.56 71.04 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.996 1.318 . . . . 0.0 112.392 177.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 93.7 p -55.19 -48.56 73.65 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.036 1.334 . . . . 0.0 112.457 178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -55.13 -44.19 74.81 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.748 1.219 . . . . 0.0 112.348 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.27 -53.77 35.85 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 C-N-CA 124.215 1.006 . . . . 0.0 111.31 -176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -67.18 -43.45 82.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.726 1.21 . . . . 0.0 111.725 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -63.26 -37.14 86.09 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.189 0.996 . . . . 0.0 112.344 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -67.51 -33.6 75.42 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.327 1.451 . . . . 0.0 112.335 173.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.6 ttp -68.25 -33.1 73.76 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.863 0.865 . . . . 0.0 111.265 170.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 95.2 mt -76.74 -29.73 18.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.805 0 C-N-CA 124.363 1.065 . . . . 0.0 111.009 175.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 45.0 m -62.6 -43.73 98.08 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.203 1.001 . . . . 0.0 109.933 165.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.67 79.55 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.744 1.217 . . . . 0.0 112.476 175.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 49.1 m0 -53.48 -57.13 11.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.113 0.965 . . . . 0.0 110.638 175.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -49.25 50.36 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.275 1.83 . . . . 0.0 111.02 175.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 7.1 mmtt -62.21 -37.72 86.41 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.032 1.333 . . . . 0.0 113.273 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.41 -42.78 87.31 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.244 0.929 . . . . 0.0 111.049 175.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 78.6 t -58.8 -45.84 91.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.175 0.99 . . . . 0.0 110.787 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.76 -47.56 30.48 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.661 1.584 . . . . 0.0 111.948 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -70.89 -60.57 2.16 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.727 1.611 . . . . 0.0 110.975 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -51.7 -30.75 23.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 127.432 2.293 . . . . 0.0 113.738 -175.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -42.12 -47.21 4.52 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.936 2.094 . . . . 0.0 112.257 169.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -73.73 125.18 27.51 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.2 1.4 . . . . 0.0 109.526 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 30.1 pttt . . . . . 0 C--O 1.25 1.114 0 CA-C-O 117.044 -1.455 . . . . 0.0 110.757 -177.745 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.8 p30 -160.34 162.73 33.53 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.444 1.498 . . . . 0.0 110.636 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mp0 60.37 71.13 0.58 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.84 1.656 . . . . 0.0 110.917 -171.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.46 82.92 3.44 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.269 1.428 . . . . 0.0 109.231 175.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -141.99 133.34 26.49 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.001 1.32 . . . . 0.0 109.407 -174.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -70.47 -12.62 61.69 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.02 1.328 . . . . 0.0 114.361 -175.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -50.78 -44.04 58.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.095 1.358 . . . . 0.0 112.304 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -56.17 -50.79 70.19 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.103 1.361 . . . . 0.0 111.902 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -52.39 -55.45 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 125.649 1.58 . . . . 0.0 110.144 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.36 -47.31 84.23 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.983 1.313 . . . . 0.0 111.871 177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -57.51 -53.61 56.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.226 1.411 . . . . 0.0 112.03 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -65.36 -40.7 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.202 1.001 . . . . 0.0 112.214 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -56.52 -48.23 77.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.189 0.996 . . . . 0.0 111.3 175.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -63.73 -48.61 76.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.064 1.346 . . . . 0.0 111.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.55 -47.0 73.74 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.675 1.19 . . . . 0.0 112.359 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -65.72 -50.31 65.29 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.42 1.088 . . . . 0.0 111.473 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.3 t -55.36 -35.78 65.62 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.675 1.59 . . . . 0.0 112.781 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.2 tt -53.35 -52.85 57.9 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.275 1.43 . . . . 0.0 110.253 174.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -67.9 -41.14 83.16 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.406 1.482 . . . . 0.0 112.229 174.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.08 69.26 9.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.911 1.685 . . . . 0.0 109.342 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -59.35 -46.83 87.55 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.651 1.58 . . . . 0.0 112.185 -179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -59.68 -40.8 89.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.265 1.026 . . . . 0.0 111.874 -176.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.67 -14.08 50.12 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.065 1.317 . . . . 0.0 113.628 -177.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.55 -51.05 64.16 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.835 1.654 . . . . 0.0 113.503 -175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.2 16.64 3.48 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.794 1.664 . . . . 0.0 113.749 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 71.6 p -139.28 152.53 47.33 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.988 1.715 . . . . 0.0 109.709 175.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.9 mp -125.24 100.38 7.07 Favored 'Isoleucine or valine' 0 C--N 1.345 0.394 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 170.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t -83.3 -178.83 7.21 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.499 1.12 . . . . 0.0 110.916 174.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.6 p -55.77 -47.69 76.58 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.212 1.405 . . . . 0.0 111.665 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -56.66 -52.71 63.86 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.463 1.505 . . . . 0.0 111.233 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -62.5 -45.09 94.61 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.421 1.088 . . . . 0.0 112.221 179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.44 -47.81 75.43 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.806 0.842 . . . . 0.0 110.096 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.46 -47.17 63.61 Favored Glycine 0 CA--C 1.535 1.309 0 C-N-CA 125.438 1.494 . . . . 0.0 112.795 173.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 28.2 m -56.13 -43.38 78.16 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.99 1.316 . . . . 0.0 112.183 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 93.4 t -57.86 -49.04 82.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.986 . . . . 0.0 110.912 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.1 mtt -67.98 -38.64 82.94 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.192 0.597 . . . . 0.0 112.142 177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -61.74 -46.41 89.75 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.501 1.12 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -54.79 -42.15 71.44 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.697 1.599 . . . . 0.0 111.991 173.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 55.0 tp -66.81 -65.68 0.65 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.838 1.255 . . . . 0.0 109.891 177.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 157.18 42.68 0.02 OUTLIER Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.645 1.117 . . . . 0.0 113.166 169.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -145.33 142.35 29.34 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 125.325 1.45 . . . . 0.0 109.931 174.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -118.39 83.3 20.54 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 124.898 1.279 . . . . 0.0 109.182 -175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.87 156.65 62.54 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.746 2.964 . . . . 0.0 111.608 178.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.6 m -77.34 130.09 36.69 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.314 1.445 . . . . 0.0 110.436 -176.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -57.89 -37.12 73.42 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 113.714 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -47.9 82.85 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.504 1.121 . . . . 0.0 111.401 175.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -63.98 -50.09 69.94 Favored 'General case' 0 C--N 1.344 0.344 0 CA-C-O 118.678 -0.677 . . . . 0.0 111.284 177.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 78.0 mt -45.32 -37.12 4.56 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.72 1.208 . . . . 0.0 113.627 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -66.79 -61.58 1.88 Allowed 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.596 0.635 . . . . 0.0 110.543 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -59.15 -50.23 74.85 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.494 1.118 . . . . 0.0 111.761 -173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 64.0 mtp -33.3 -52.79 0.38 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.193 2.197 . . . . 0.0 112.707 169.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.6 mm -74.1 -50.64 27.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.092 1.357 . . . . 0.0 110.428 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -67.36 -9.28 39.85 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.993 1.717 . . . . 0.0 114.678 -173.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -47.32 -49.41 24.12 Favored 'General case' 0 C--N 1.347 0.489 0 C-N-CA 124.443 1.097 . . . . 0.0 110.279 159.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.54 66.51 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.087 1.355 . . . . 0.0 108.873 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -161.73 106.46 1.27 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.889 1.276 . . . . 0.0 107.95 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.51 -51.63 68.7 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.512 1.125 . . . . 0.0 112.05 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -70.64 -48.92 52.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.736 1.214 . . . . 0.0 111.096 176.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 62.8 58.49 11.88 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.662 1.601 . . . . 0.0 112.815 177.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -70.42 -46.91 63.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.275 1.03 . . . . 0.0 111.613 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.82 27.96 0.76 Allowed Glycine 0 CA--C 1.539 1.531 0 C-N-CA 126.85 2.167 . . . . 0.0 111.677 -172.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -144.85 178.96 7.63 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.779 2.432 . . . . 0.0 108.661 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -147.68 98.68 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 170.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -70.46 171.95 9.24 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.727 1.211 . . . . 0.0 111.04 -178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -52.9 -50.41 81.7 Favored Pre-proline 0 CA--C 1.542 0.648 0 CA-C-O 117.865 -1.064 . . . . 0.0 112.834 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -59.78 -45.45 24.9 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.785 2.99 . . . . 0.0 112.014 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -63.79 -37.46 87.45 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.765 1.626 . . . . 0.0 113.075 -175.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.9 t80 -73.25 -49.48 27.54 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 123.843 0.857 . . . . 0.0 110.188 177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.9 -46.95 16.26 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.808 1.643 . . . . 0.0 111.894 169.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 91.3 m -62.62 -60.1 3.99 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.013 1.325 . . . . 0.0 110.074 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 52.0 ttp -46.57 -43.37 17.12 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.562 1.545 . . . . 0.0 112.64 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.9 mmt -66.57 -55.76 13.93 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.847 1.259 . . . . 0.0 111.261 176.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.67 -86.39 0.34 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.873 1.269 . . . . 0.0 112.387 -173.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -46.34 89.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.234 1.014 . . . . 0.0 113.035 -166.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 16.7 tptp 96.25 112.63 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.768 2.427 . . . . 0.0 110.593 168.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.0 ttm 75.4 128.72 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 111.33 175.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -75.75 85.76 2.75 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.729 1.212 . . . . 0.0 111.315 -170.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -141.13 -167.82 2.48 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.002 1.321 . . . . 0.0 109.905 178.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.9 p -78.12 -74.09 0.28 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.797 0.839 . . . . 0.0 110.1 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -85.37 56.7 4.07 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.944 1.298 . . . . 0.0 109.931 -178.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 67.6 m -66.81 -46.44 75.19 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.023 1.729 . . . . 0.0 112.444 -173.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -57.06 -31.07 64.82 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.581 1.152 . . . . 0.0 113.034 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -72.16 -22.97 61.22 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.538 1.135 . . . . 0.0 112.395 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.82 -44.07 86.67 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 124.121 0.968 . . . . 0.0 111.087 173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.9 mm -57.41 -57.78 8.76 Favored 'Isoleucine or valine' 0 C--N 1.346 0.451 0 CA-C-O 118.25 -0.881 . . . . 0.0 109.508 169.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.9 tpt85 -57.34 -37.3 72.35 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.429 0.691 . . . . 0.0 112.678 -173.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -62.55 -48.43 79.55 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.135 0.974 . . . . 0.0 111.398 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.68 -20.14 62.72 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.631 1.172 . . . . 0.0 113.736 176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.457 ' CZ ' HD11 ' A' ' 100' ' ' ILE . 20.5 t80 -67.78 -47.86 67.96 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 126.122 1.769 . . . . 0.0 110.681 -173.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -67.34 -28.65 68.15 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.564 1.546 . . . . 0.0 113.026 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.6 t -57.84 -43.37 84.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.088 0.955 . . . . 0.0 110.453 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -77.01 -46.54 23.45 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.028 1.331 . . . . 0.0 110.509 175.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -99.77 100.38 11.32 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.623 1.969 . . . . 0.0 109.776 -172.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.2 mmpt? -50.51 -39.43 48.59 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.708 1.203 . . . . 0.0 112.43 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.84 -60.95 2.12 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.945 1.698 . . . . 0.0 110.788 172.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.24 67.61 1.69 Allowed Glycine 0 CA--C 1.532 1.102 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 -175.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -148.7 31.97 0.79 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.152 0.981 . . . . 0.0 112.86 -166.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.34 -45.93 3.32 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 118.692 0.678 . . . . 0.0 112.908 -176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -91.58 116.82 29.18 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.442 1.497 . . . . 0.0 109.681 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.457 HD11 ' CZ ' ' A' ' 89' ' ' PHE . 3.0 mp -102.74 111.11 31.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 107.549 -1.278 . . . . 0.0 107.549 169.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.4 p -72.4 157.36 37.8 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.603 0.761 . . . . 0.0 111.444 178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -53.39 -41.53 66.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.88 1.272 . . . . 0.0 112.389 177.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.49 -54.62 44.48 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.027 1.331 . . . . 0.0 111.564 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -58.04 -43.89 87.06 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.195 0.998 . . . . 0.0 111.763 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -32.04 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.719 1.207 . . . . 0.0 111.815 176.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -44.28 70.8 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.985 1.314 . . . . 0.0 111.32 173.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -55.55 -53.2 59.3 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 124.939 1.296 . . . . 0.0 112.065 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 10.9 p -54.76 -35.92 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 C-N-CA 123.737 0.815 . . . . 0.0 112.821 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 34.3 mtt -71.2 -48.72 49.89 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.427 0.691 . . . . 0.0 111.065 173.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.8 m -54.1 -32.2 54.22 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.357 1.463 . . . . 0.0 112.599 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -57.76 -47.99 80.92 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.027 0.831 . . . . 0.0 111.886 173.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.1 mp -79.2 -64.07 1.27 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.193 0.997 . . . . 0.0 110.288 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -69.29 -59.28 5.89 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 125.679 1.609 . . . . 0.0 112.695 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 78.66 109.25 0.07 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.418 1.887 . . . . 0.0 110.911 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? 68.77 80.89 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.5 1.92 . . . . 0.0 110.551 176.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.83 149.89 46.71 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.56 1.544 . . . . 0.0 109.826 175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 68.5 p -71.45 120.01 16.42 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.072 0.949 . . . . 0.0 109.946 176.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -91.11 10.52 26.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.449 1.5 . . . . 0.0 113.556 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.66 -36.54 81.12 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.464 1.106 . . . . 0.0 111.36 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.17 -58.59 7.55 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 124.671 1.189 . . . . 0.0 109.784 170.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 52.8 t -47.42 -48.69 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 125.104 1.362 . . . . 0.0 111.125 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -57.32 -44.88 84.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.201 1.0 . . . . 0.0 112.185 175.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -59.48 -47.98 83.41 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 118.927 0.785 . . . . 0.0 112.08 175.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.421 ' HB3' ' CH2' ' B' ' 18' ' ' TRP . 1.7 mpp? -60.51 -37.35 80.84 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 119.227 0.921 . . . . 0.0 112.664 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.17 -56.24 18.31 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 169.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 46.0 mmm-85 -58.59 -25.73 62.89 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.725 1.61 . . . . 0.0 114.322 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -54.95 -38.16 67.37 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.094 0.958 . . . . 0.0 111.9 170.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.96 63.5 1.11 Allowed 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.071 0.948 . . . . 0.0 111.106 178.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -115.05 92.06 3.81 Favored 'General case' 0 C--N 1.346 0.429 0 C-N-CA 125.67 1.588 . . . . 0.0 106.945 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.39 -58.92 5.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 125.591 1.557 . . . . 0.0 110.68 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -61.45 -56.12 23.69 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.521 1.128 . . . . 0.0 111.55 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.17 84.56 0.73 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.9 p-10 -156.26 45.91 0.44 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.052 1.341 . . . . 0.0 110.806 175.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 51.68 31.56 30.51 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 126.006 1.765 . . . . 0.0 114.5 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -148.67 162.48 39.65 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.073 1.349 . . . . 0.0 110.999 -173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 54.5 t -122.65 91.96 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 125.664 1.586 . . . . 0.0 108.325 -175.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -61.27 169.78 2.01 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.118 1.367 . . . . 0.0 111.475 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -51.46 -47.73 63.04 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.943 1.297 . . . . 0.0 111.975 170.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -73.05 13.26 0.42 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.369 1.468 . . . . 0.0 113.447 177.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -128.12 -40.28 1.68 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.948 1.699 . . . . 0.0 110.16 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -59.39 -45.5 91.29 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.843 1.257 . . . . 0.0 110.628 176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.7 t -67.95 -55.38 16.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 125.139 1.376 . . . . 0.0 109.33 174.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -32.89 66.59 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.122 1.369 . . . . 0.0 113.964 -174.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.8 mtp -55.54 -59.71 4.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.392 1.477 . . . . 0.0 110.361 172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 63.6 mtt -72.38 -18.36 61.74 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 177.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 17.8 m -125.07 65.5 1.13 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 126.476 1.91 . . . . 0.0 108.055 -177.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -98.59 75.86 2.2 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.392 1.077 . . . . 0.0 108.574 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 124.99 1.316 . . . . 0.0 111.72 -175.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.999 -0.44 . . . . 0.0 111.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -89.42 111.47 22.34 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.34 1.456 . . . . 0.0 108.985 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -131.58 160.14 36.17 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.455 1.502 . . . . 0.0 110.814 -177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -154.58 162.51 41.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.957 1.303 . . . . 0.0 110.968 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 136.22 47.8 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.798 1.239 . . . . 0.0 111.578 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 44.0 p -143.84 -170.65 3.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.82 1.648 . . . . 0.0 110.26 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -50.89 -32.48 20.68 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.629 1.571 . . . . 0.0 112.432 169.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 21.1 t -54.65 -60.35 3.47 Favored 'General case' 0 C--N 1.346 0.445 0 C-N-CA 124.918 1.287 . . . . 0.0 110.842 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.35 -38.24 73.83 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.255 1.022 . . . . 0.0 112.646 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 51.3 t -55.38 -55.22 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 C-N-CA 124.101 0.961 . . . . 0.0 110.735 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -75.61 -25.87 57.32 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 58.8 mt -67.57 -50.18 59.64 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.351 0.978 . . . . 0.0 110.4 171.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -57.62 -36.61 72.02 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.201 1.0 . . . . 0.0 111.863 172.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -62.91 -54.18 42.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-O 118.592 -0.718 . . . . 0.0 110.334 174.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 1.6 tp -64.17 -30.07 49.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 123.777 0.831 . . . . 0.0 112.715 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 77.3 m -61.36 -52.93 62.61 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.94 1.296 . . . . 0.0 109.738 169.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.4 -22.95 66.24 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.211 1.405 . . . . 0.0 113.489 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 124' ' ' MET . 4.6 t90 -72.35 -38.26 68.62 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.701 1.6 . . . . 0.0 109.875 176.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 17.7 ttpp -63.94 -41.43 97.62 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.81 1.244 . . . . 0.0 111.177 167.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 20.9 tptp -60.13 -33.53 72.27 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.018 1.327 . . . . 0.0 112.42 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -43.48 98.79 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-N 119.605 1.093 . . . . 0.0 111.029 178.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 48.9 t -61.09 -41.11 88.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.955 0.902 . . . . 0.0 111.062 176.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -57.04 -50.73 71.86 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.324 0.649 . . . . 0.0 110.71 172.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.88 -51.4 69.23 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 118.766 0.712 . . . . 0.0 112.206 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -70.29 -27.65 64.57 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -153.85 89.16 1.29 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.645 1.178 . . . . 0.0 108.829 -170.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -101.47 56.05 0.83 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.769 1.228 . . . . 0.0 109.438 179.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.134 0 C-N-CA 124.984 1.314 . . . . 0.0 110.235 -172.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.955 -0.458 . . . . 0.0 111.955 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 64.8 m -81.15 69.65 7.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.896 1.278 . . . . 0.0 110.098 -178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -97.27 100.88 12.34 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.414 1.485 . . . . 0.0 108.832 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.86 113.88 23.12 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.71 1.604 . . . . 0.0 108.749 173.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -141.43 107.46 5.18 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.658 1.583 . . . . 0.0 107.826 -176.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 34.1 p -79.88 151.65 30.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.583 0.753 . . . . 0.0 110.647 179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -67.18 -36.45 81.8 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.081 1.352 . . . . 0.0 111.364 173.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 37.9 t -47.57 -51.37 21.25 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.894 1.677 . . . . 0.0 112.09 177.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -51.02 -48.66 61.41 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.414 1.486 . . . . 0.0 112.132 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.39 -52.88 56.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 124.357 1.063 . . . . 0.0 110.927 -175.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -60.97 -49.07 78.93 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.245 1.018 . . . . 0.0 110.654 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.41 -42.82 74.61 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.052 1.341 . . . . 0.0 112.154 178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.32 -22.91 64.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.745 1.218 . . . . 0.0 113.516 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.6 ttp -76.35 -31.54 58.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.858 0.863 . . . . 0.0 110.95 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mt -68.85 -40.47 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 O-C-N 121.593 -0.692 . . . . 0.0 110.014 170.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.4 m -55.63 -41.13 73.1 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.426 0.691 . . . . 0.0 110.905 169.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.14 -39.83 91.54 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.223 1.009 . . . . 0.0 112.711 176.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -58.99 -46.22 88.68 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 118.897 0.771 . . . . 0.0 111.462 172.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -55.11 -44.24 74.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.112 0.965 . . . . 0.0 112.218 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.0 -40.26 92.86 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.48 1.112 . . . . 0.0 112.304 175.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -58.26 -50.56 73.15 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.216 0.917 . . . . 0.0 110.849 172.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.38 -46.3 89.35 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 122.907 0.483 . . . . 0.0 111.36 178.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -51.7 -56.16 15.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.639 1.576 . . . . 0.0 111.205 174.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.52 -52.55 63.3 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.809 1.243 . . . . 0.0 111.563 -178.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -68.94 -20.2 64.2 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.2 -52.64 50.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.637 1.175 . . . . 0.0 111.9 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 33.5 ttpt -65.43 127.06 30.28 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.588 0.755 . . . . 0.0 109.47 174.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.123 0 C-N-CA 124.971 1.308 . . . . 0.0 108.122 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -157.27 146.12 19.8 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.617 1.567 . . . . 0.0 109.66 -179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -137.67 138.16 39.14 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.277 1.431 . . . . 0.0 109.267 174.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 93.8 mt -71.83 -50.75 26.89 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.261 1.424 . . . . 0.0 111.705 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -143.15 165.21 28.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.415 1.486 . . . . 0.0 111.027 -175.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -66.59 -19.3 65.74 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.183 1.793 . . . . 0.0 113.295 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -51.14 -45.42 61.64 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.206 1.402 . . . . 0.0 112.333 -179.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.72 -44.26 96.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.753 1.221 . . . . 0.0 111.775 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -58.46 -46.92 89.43 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 C-N-CA 123.786 0.834 . . . . 0.0 110.118 177.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.42 -37.98 85.47 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.161 1.385 . . . . 0.0 112.702 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.24 -52.52 65.24 Favored 'General case' 0 C--N 1.346 0.456 0 C-N-CA 124.493 1.117 . . . . 0.0 110.526 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -65.32 -36.06 82.9 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.851 0.861 . . . . 0.0 112.581 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -57.62 -51.32 69.97 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.765 0.711 . . . . 0.0 110.178 174.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -57.11 -43.71 82.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.209 1.804 . . . . 0.0 111.692 175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.13 -44.2 71.15 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.529 1.132 . . . . 0.0 112.143 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -69.29 -48.51 61.46 Favored 'General case' 0 C--N 1.344 0.344 0 C-N-CA 124.123 0.969 . . . . 0.0 111.589 173.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.2 t -50.65 -52.41 40.01 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.592 1.557 . . . . 0.0 113.436 -171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.4 -33.0 74.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.519 0.728 . . . . 0.0 112.524 -176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -70.67 -54.46 11.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.01 0.823 . . . . 0.0 110.643 171.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -83.55 68.73 9.91 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.746 1.619 . . . . 0.0 109.329 178.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mppt? -55.04 -41.92 72.0 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.853 1.261 . . . . 0.0 111.173 171.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -50.3 -51.05 48.45 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.712 2.005 . . . . 0.0 112.367 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.96 -45.74 1.27 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.591 1.091 . . . . 0.0 112.647 176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -45.03 -41.58 7.66 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.109 1.764 . . . . 0.0 113.671 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 109.39 71.64 0.7 Allowed Glycine 0 C--N 1.342 0.905 0 C-N-CA 124.528 1.061 . . . . 0.0 111.364 171.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.4 p -152.02 144.19 23.92 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.046 1.739 . . . . 0.0 108.553 169.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 72.9 mt -130.33 83.11 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 170.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.3 t -85.15 178.69 7.44 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.066 1.347 . . . . 0.0 111.079 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.8 p -57.85 -55.54 33.53 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.366 1.466 . . . . 0.0 110.924 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -48.27 -53.13 18.32 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.974 1.71 . . . . 0.0 112.231 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 35' ' ' VAL . 38.6 tt0 -59.08 -49.24 78.62 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.227 1.011 . . . . 0.0 111.114 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.23 -50.92 66.06 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.602 1.161 . . . . 0.0 110.475 175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.83 -52.4 9.65 Favored Glycine 0 CA--C 1.533 1.191 0 C-N-CA 125.458 1.504 . . . . 0.0 111.821 173.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.0 m -58.49 -45.49 88.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.563 1.545 . . . . 0.0 112.377 178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 31' ' ' GLU . 45.9 t -53.11 -53.97 19.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.578 0 C-N-CA 123.852 0.861 . . . . 0.0 110.166 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 9.3 mtt -62.49 -45.55 92.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.697 1.199 . . . . 0.0 112.215 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.64 -51.89 67.86 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.925 1.29 . . . . 0.0 110.867 -175.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.0 t -46.87 -44.89 19.97 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.014 1.725 . . . . 0.0 112.411 175.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.7 mt -74.77 -64.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.868 1.267 . . . . 0.0 109.724 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 159.43 55.81 0.01 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.975 0.798 . . . . 0.0 113.397 168.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -150.96 131.4 13.77 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.475 1.51 . . . . 0.0 109.158 170.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -111.35 92.45 16.11 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.864 1.266 . . . . 0.0 109.651 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -76.99 155.09 33.77 Favored 'Trans proline' 0 CA--C 1.541 0.862 0 C-N-CA 123.489 2.793 . . . . 0.0 111.078 175.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.4 m -83.76 147.72 27.45 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.621 1.568 . . . . 0.0 110.27 178.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -73.12 -40.15 65.17 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.085 1.354 . . . . 0.0 112.083 -175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.43 -49.17 65.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.995 1.318 . . . . 0.0 111.318 172.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -59.34 -55.67 31.8 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.506 1.123 . . . . 0.0 110.964 173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.9 mt -46.2 -42.75 14.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.516 1.527 . . . . 0.0 114.055 -176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -54.42 -58.2 8.36 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 118.587 0.63 . . . . 0.0 110.827 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -53.8 54.13 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.8 1.24 . . . . 0.0 111.903 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 70.0 mtp -39.79 -52.11 2.35 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.398 1.879 . . . . 0.0 112.727 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.51 -47.97 17.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 C-N-CA 125.265 1.426 . . . . 0.0 110.803 -176.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -54.87 -32.39 60.76 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.355 1.462 . . . . 0.0 114.47 -175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -58.25 -12.05 3.28 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 85.0 t -115.54 -21.43 5.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.755 1.222 . . . . 0.0 112.103 170.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -64.39 115.06 4.73 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 119.441 1.019 . . . . 0.0 109.336 176.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.05 -58.06 10.17 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.929 1.292 . . . . 0.0 111.44 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -74.8 -43.34 55.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.529 1.131 . . . . 0.0 111.867 -179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 73.37 57.1 5.26 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 124.538 1.066 . . . . 0.0 113.219 176.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -84.64 -54.65 4.58 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 118.065 0.932 . . . . 0.0 109.987 169.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.55 26.16 0.89 Allowed Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.803 1.668 . . . . 0.0 114.051 173.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 59.5 p -139.4 114.23 9.37 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.989 1.316 . . . . 0.0 108.098 170.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.8 mm -88.97 93.27 4.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 124.341 1.056 . . . . 0.0 108.645 -177.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -69.74 -172.81 0.54 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.053 1.741 . . . . 0.0 111.453 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.98 -56.07 39.89 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.005 0.922 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.42 -43.16 61.3 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 124.236 3.291 . . . . 0.0 112.837 176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -64.98 -42.11 94.83 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.405 1.482 . . . . 0.0 111.956 -176.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -70.07 -44.65 68.67 Favored 'General case' 0 C--N 1.344 0.334 0 C-N-CA 123.499 0.72 . . . . 0.0 111.229 177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.1 mt -52.46 -43.6 65.05 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.933 0.893 . . . . 0.0 111.079 172.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.0 m -58.27 -54.82 42.64 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.929 0.892 . . . . 0.0 110.656 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.1 ttt -53.63 -48.02 69.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.028 1.331 . . . . 0.0 112.584 -176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.7 mmt -74.16 -58.27 3.41 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.689 1.595 . . . . 0.0 111.832 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.15 -64.72 1.07 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.568 0.747 . . . . 0.0 111.165 -172.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.79 -67.77 0.67 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.148 0.979 . . . . 0.0 111.996 -171.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 tttm 80.29 146.12 0.09 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.181 2.192 . . . . 0.0 113.668 167.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 8.2 tmm? 82.77 139.67 0.06 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.37 2.668 . . . . 0.0 110.281 -167.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -66.5 96.07 0.36 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.505 1.522 . . . . 0.0 111.812 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -164.93 171.4 14.1 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.695 1.598 . . . . 0.0 109.841 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 65.5 p -76.85 -64.55 1.1 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.117 0.967 . . . . 0.0 109.395 172.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -87.02 58.46 5.08 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.7 1.6 . . . . 0.0 109.931 178.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 57.9 m -65.48 -20.18 66.24 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.69 1.596 . . . . 0.0 114.634 -172.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -63.85 -47.64 79.94 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.012 0.925 . . . . 0.0 111.592 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -64.6 -36.89 85.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.033 0.933 . . . . 0.0 112.004 175.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -57.01 -37.07 71.17 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.094 0.958 . . . . 0.0 112.505 -177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 29.9 mm -66.98 -44.21 88.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 118.452 -0.785 . . . . 0.0 111.064 172.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -59.88 -32.83 71.09 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.402 1.001 . . . . 0.0 112.771 174.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -71.97 -52.73 15.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.929 0.892 . . . . 0.0 111.108 174.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.24 -34.29 72.05 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.207 1.003 . . . . 0.0 112.299 179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -58.41 -47.68 83.1 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.009 1.724 . . . . 0.0 111.122 169.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -61.89 -39.2 91.12 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.09 1.356 . . . . 0.0 112.316 177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 91.4 t -67.9 -60.63 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 124.137 0.975 . . . . 0.0 110.038 176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -65.58 -71.36 0.19 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.392 1.477 . . . . 0.0 110.488 -173.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -78.72 155.45 29.38 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.241 1.016 . . . . 0.0 110.681 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 mmmm -81.57 -17.05 49.72 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.294 1.438 . . . . 0.0 113.951 -172.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -139.73 49.29 1.79 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.6 1.16 . . . . 0.0 111.852 -167.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.5 8.96 28.86 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.42 1.01 . . . . 0.0 115.318 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.3 t30 49.76 46.49 23.92 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.739 2.016 . . . . 0.0 112.49 175.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.45 -71.02 1.33 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.542 1.068 . . . . 0.0 111.09 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -105.84 90.31 3.35 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.124 1.77 . . . . 0.0 107.326 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 1.9 mt -94.68 100.69 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.545 1.138 . . . . 0.0 109.154 -168.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.8 p -71.31 163.93 26.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.028 0.531 . . . . 0.0 111.471 171.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.32 -41.72 72.78 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.515 1.126 . . . . 0.0 111.853 171.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.65 -48.45 81.02 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.129 1.372 . . . . 0.0 112.221 175.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -59.91 -45.51 92.33 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.253 1.421 . . . . 0.0 111.877 178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -62.61 -44.51 96.13 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.905 0.882 . . . . 0.0 111.691 175.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -63.3 -42.1 99.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.494 0.718 . . . . 0.0 111.848 179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 50.5 t60 -53.85 -52.26 60.98 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.983 1.313 . . . . 0.0 111.664 -177.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 14.0 p -68.91 -37.6 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 124.301 1.041 . . . . 0.0 112.734 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 46.3 mtt -57.02 -52.46 65.2 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.227 1.011 . . . . 0.0 110.413 172.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -59.55 -44.15 93.33 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 126.092 1.757 . . . . 0.0 111.859 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -52.27 -42.36 63.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.456 1.503 . . . . 0.0 112.19 -177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.72 -68.34 0.23 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.424 1.089 . . . . 0.0 109.045 170.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.7 -45.69 0.15 Allowed Glycine 0 CA--C 1.53 0.992 0 C-N-CA 123.929 0.776 . . . . 0.0 111.597 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.17 108.84 2.83 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.808 1.243 . . . . 0.0 111.203 -172.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.36 105.23 17.35 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.447 1.499 . . . . 0.0 108.91 174.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.49 157.19 35.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.987 1.315 . . . . 0.0 109.684 168.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.7 m -75.68 122.72 24.4 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.735 1.214 . . . . 0.0 110.273 -172.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -70.58 3.1 3.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -175.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -35.02 74.43 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 119.441 1.019 . . . . 0.0 110.794 167.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -68.11 -34.14 75.82 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.215 1.406 . . . . 0.0 111.392 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 86.0 t -68.08 -53.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.345 0.402 0 C-N-CA 125.121 1.369 . . . . 0.0 110.282 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -48.93 -44.27 40.3 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.8 1.64 . . . . 0.0 112.605 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.81 -61.32 2.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.103 1.361 . . . . 0.0 111.554 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.7 ptt? -71.93 -17.23 62.1 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 66.5 mt -65.09 -56.47 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 160.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 68.0 mtt180 -62.55 -14.8 46.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.969 1.708 . . . . 0.0 114.874 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -53.68 -38.29 64.06 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.416 1.007 . . . . 0.0 111.371 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.61 67.25 1.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 175.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -102.96 86.91 2.8 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 107.967 171.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.51 -48.29 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 125.283 1.433 . . . . 0.0 110.312 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -55.9 -31.56 62.95 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.593 1.157 . . . . 0.0 112.525 174.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.65 74.29 0.97 Allowed Glycine 0 C--N 1.343 0.967 0 C-N-CA 124.303 0.954 . . . . 0.0 111.895 168.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -161.37 -109.33 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.508 1.523 . . . . 0.0 108.2 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -152.52 46.23 0.58 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 125.265 1.412 . . . . 0.0 109.917 167.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -128.95 167.24 17.72 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 126.058 1.743 . . . . 0.0 111.107 -176.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 93.4 t -131.49 105.81 10.88 Favored 'Isoleucine or valine' 0 C--N 1.344 0.347 0 C-N-CA 125.582 1.553 . . . . 0.0 108.692 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.87 173.92 7.64 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.164 1.386 . . . . 0.0 110.385 169.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -55.15 -59.73 4.36 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.053 0.941 . . . . 0.0 111.842 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -56.19 -37.56 69.78 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.999 0.92 . . . . 0.0 112.754 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -62.05 -46.9 87.11 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.721 0.809 . . . . 0.0 111.328 177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -54.79 -50.46 68.45 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 123.995 0.918 . . . . 0.0 111.373 176.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 82.5 t -55.19 -50.29 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 124.057 0.943 . . . . 0.0 110.256 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tp-100 -64.4 -37.58 88.03 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.055 1.342 . . . . 0.0 113.388 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 26.4 mtp -55.94 -50.09 71.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.897 1.279 . . . . 0.0 110.144 173.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.1 mmt -76.18 -20.74 57.24 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.434 1.094 . . . . 0.0 113.088 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 21.1 m -126.45 60.56 1.32 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.141 1.776 . . . . 0.0 108.266 -177.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -86.84 91.44 8.65 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.698 0.799 . . . . 0.0 109.735 -172.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 2.4 tptp . . . . . 0 C--O 1.252 1.187 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.61 178.721 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.053 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.7 p -161.13 -90.18 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.787 1.235 . . . . 0.0 108.932 178.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -78.81 97.88 6.1 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.136 1.374 . . . . 0.0 109.32 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -145.05 -167.72 2.75 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.394 1.478 . . . . 0.0 109.888 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.79 80.59 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.003 1.321 . . . . 0.0 111.67 -178.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -109.79 173.66 6.22 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.657 1.983 . . . . 0.0 110.381 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -56.35 -35.93 68.2 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.267 1.427 . . . . 0.0 112.349 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 99.8 p -60.96 -43.67 98.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.298 1.039 . . . . 0.0 111.756 171.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -66.55 -35.97 81.53 Favored 'General case' 0 C--N 1.347 0.492 0 C-N-CA 123.649 0.779 . . . . 0.0 111.899 176.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 75.6 t -57.95 -50.95 76.2 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 CA-C-N 118.904 0.774 . . . . 0.0 110.676 177.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -71.11 -21.85 62.16 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.464 ' C ' HD23 ' B' ' 12' ' ' LEU . 5.7 tt -66.91 -58.81 4.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.581 1.153 . . . . 0.0 109.06 170.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -57.66 -32.47 67.33 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.417 1.087 . . . . 0.0 111.448 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 58.7 ttp -62.55 -59.19 5.3 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 124.291 1.036 . . . . 0.0 110.938 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.6 tp -65.03 -28.56 45.04 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 123.252 0.621 . . . . 0.0 112.134 -175.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -64.14 -52.12 60.6 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 124.524 1.13 . . . . 0.0 109.826 168.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -22.48 66.72 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.559 1.144 . . . . 0.0 113.302 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -71.06 -45.06 64.51 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.357 1.463 . . . . 0.0 110.007 174.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -61.31 -37.2 82.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.704 1.602 . . . . 0.0 111.768 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -61.91 -29.2 70.05 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.043 1.337 . . . . 0.0 113.064 174.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -50.59 67.98 Favored 'General case' 0 C--N 1.348 0.54 0 CA-C-N 119.622 1.101 . . . . 0.0 109.547 175.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.22 -38.42 79.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.564 1.146 . . . . 0.0 111.388 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -55.0 -60.54 3.23 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.291 1.036 . . . . 0.0 110.201 172.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -56.66 -58.68 7.02 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.13 1.372 . . . . 0.0 111.392 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -61.75 -46.6 88.88 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.366 1.866 . . . . 0.0 112.437 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 77.13 1.33 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.099 1.36 . . . . 0.0 110.096 -165.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -164.96 83.74 0.38 Allowed 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.862 1.265 . . . . 0.0 109.266 176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.46 -1.257 . . . . 0.0 108.664 172.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 75.1 p -60.41 -55.22 36.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.058 1.343 . . . . 0.0 111.304 178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -73.32 116.4 13.83 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.443 1.097 . . . . 0.0 109.088 174.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.5 104.44 2.33 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.755 1.622 . . . . 0.0 109.036 178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 35.3 tptt -113.2 94.07 4.71 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.511 1.124 . . . . 0.0 110.264 -165.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 81.6 p -74.38 162.66 28.64 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.61 1.564 . . . . 0.0 112.648 -173.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -61.65 -33.41 73.92 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.983 1.713 . . . . 0.0 112.301 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 43.7 m -43.81 -55.66 4.34 Favored 'General case' 0 C--N 1.347 0.495 0 C-N-CA 125.84 1.656 . . . . 0.0 111.654 175.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -51.99 -45.45 64.49 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.83 2.052 . . . . 0.0 112.835 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.55 -43.52 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.727 1.211 . . . . 0.0 111.157 -175.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -73.9 -41.49 62.04 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.585 1.154 . . . . 0.0 111.314 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tp -56.17 -48.64 75.93 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.449 1.1 . . . . 0.0 111.77 177.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.31 -23.42 61.94 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.032 1.333 . . . . 0.0 112.845 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.47 -23.23 60.04 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.609 1.163 . . . . 0.0 111.712 169.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 71.4 mt -84.16 -31.62 7.9 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 124.13 0.972 . . . . 0.0 110.782 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.7 m -57.41 -43.21 83.57 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.806 0.73 . . . . 0.0 109.82 167.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.97 83.59 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.797 1.239 . . . . 0.0 112.525 172.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -57.69 -49.33 76.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.387 0.539 . . . . 0.0 110.968 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -54.82 -47.19 74.37 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.549 1.14 . . . . 0.0 111.581 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -55.02 -52.1 64.21 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.212 1.005 . . . . 0.0 112.532 177.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -60.96 -44.79 96.79 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.604 1.093 . . . . 0.0 112.243 -177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 82.3 t -60.38 -46.68 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.401 1.081 . . . . 0.0 111.284 176.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -52.9 -46.14 67.86 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.79 1.636 . . . . 0.0 111.681 179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -68.65 -42.79 77.47 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.948 1.299 . . . . 0.0 112.06 175.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -62.33 -41.83 98.88 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.795 1.238 . . . . 0.0 112.318 -174.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -57.87 -43.33 85.92 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.504 1.122 . . . . 0.0 112.299 175.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.18 129.98 42.62 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.535 0.734 . . . . 0.0 109.777 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 tptt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 117.162 -1.399 . . . . 0.0 112.377 -162.179 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 111.695 0.257 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.9 t70 53.2 69.2 0.73 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 126.249 1.819 . . . . 0.0 110.817 -177.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -139.81 132.25 28.53 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.003 1.721 . . . . 0.0 109.849 -173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.1 mt -79.59 -36.28 38.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.273 1.429 . . . . 0.0 111.505 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -60.05 160.1 8.51 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.437 1.495 . . . . 0.0 112.945 -174.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -71.82 -6.87 44.75 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.755 1.622 . . . . 0.0 114.46 -171.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -57.9 -43.88 86.43 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.486 1.115 . . . . 0.0 112.075 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -58.7 -54.77 43.38 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.5 1.52 . . . . 0.0 111.32 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.85 -46.81 93.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 125.033 1.333 . . . . 0.0 110.665 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.05 -58.72 7.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.409 1.484 . . . . 0.0 111.417 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -53.72 -53.26 54.7 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.393 1.077 . . . . 0.0 111.533 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.0 -40.13 92.35 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.893 1.277 . . . . 0.0 111.469 -177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? -61.75 -59.35 5.29 Favored 'General case' 0 C--N 1.346 0.415 0 C-N-CA 123.996 0.918 . . . . 0.0 110.195 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -48.03 -46.08 32.77 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.278 1.831 . . . . 0.0 112.543 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.43 -57.86 10.51 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.01 1.324 . . . . 0.0 111.448 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -65.2 -36.38 83.99 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.4 m -59.6 -39.44 84.21 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.465 1.506 . . . . 0.0 111.817 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.28 -49.27 69.98 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.85 1.26 . . . . 0.0 110.586 171.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.67 -43.13 99.59 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.544 1.538 . . . . 0.0 111.293 174.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -95.17 68.0 3.07 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 127.394 2.278 . . . . 0.0 109.167 -171.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -59.79 -45.58 91.87 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.041 0.936 . . . . 0.0 112.905 -171.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -57.35 -48.75 78.21 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.433 1.093 . . . . 0.0 111.578 178.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.17 -18.09 28.65 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.86 1.219 . . . . 0.0 113.463 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.55 -30.38 68.59 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -172.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.85 -55.78 0.63 Allowed Glycine 0 C--N 1.346 1.118 0 C-N-CA 124.484 1.04 . . . . 0.0 112.03 177.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.7 p -69.25 139.89 54.46 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.672 0.789 . . . . 0.0 110.631 176.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 59.7 mt -127.12 114.36 36.62 Favored 'Isoleucine or valine' 0 C--N 1.345 0.373 0 C-N-CA 124.82 1.248 . . . . 0.0 107.807 171.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.8 t -104.86 175.48 5.48 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.572 1.549 . . . . 0.0 110.82 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 77.6 p -56.67 -31.3 64.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.016 1.726 . . . . 0.0 112.612 177.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -59.71 -52.48 65.32 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.263 1.425 . . . . 0.0 110.275 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -61.73 -51.6 67.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.107 1.363 . . . . 0.0 110.466 176.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -47.15 63.35 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.751 1.62 . . . . 0.0 111.531 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.81 -51.24 58.66 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 125.421 1.486 . . . . 0.0 112.08 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 85.5 m -52.77 -42.93 65.46 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.75 1.22 . . . . 0.0 112.938 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -52.41 -59.93 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 124.152 0.981 . . . . 0.0 110.54 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 55.8 mtt -55.51 -42.92 75.15 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.352 1.461 . . . . 0.0 112.227 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -57.97 -45.98 85.88 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.66 1.584 . . . . 0.0 112.054 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.4 m -65.32 -49.33 69.85 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.945 1.298 . . . . 0.0 111.144 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.92 -54.95 38.53 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.169 1.388 . . . . 0.0 111.392 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 143.37 60.39 0.02 OUTLIER Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.149 0.881 . . . . 0.0 112.168 171.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.75 146.55 8.15 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.821 1.248 . . . . 0.0 110.531 171.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -113.65 81.82 5.89 Favored Pre-proline 0 CA--C 1.541 0.622 0 C-N-CA 126.171 1.788 . . . . 0.0 110.108 -171.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -71.49 152.87 60.53 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.423 2.749 . . . . 0.0 111.456 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.3 137.96 32.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.689 1.196 . . . . 0.0 110.807 -178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.43 -36.14 82.74 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.547 1.539 . . . . 0.0 114.386 -169.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.7 72.24 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.15 0.98 . . . . 0.0 111.086 176.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -62.96 -50.18 71.83 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.76 1.224 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.6 mt -45.03 -45.43 10.79 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.163 1.385 . . . . 0.0 113.02 178.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -64.47 -56.27 15.3 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.734 1.214 . . . . 0.0 110.837 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.18 -48.53 67.97 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 125.885 1.674 . . . . 0.0 112.844 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 66.1 mtm -45.61 -50.23 13.45 Favored 'General case' 0 C--N 1.348 0.522 0 C-N-CA 124.564 1.145 . . . . 0.0 112.463 178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 42.7 mm -65.95 -53.83 33.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 C-N-CA 123.644 0.778 . . . . 0.0 110.215 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -47.14 -48.0 23.37 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.729 1.611 . . . . 0.0 113.796 -173.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -65.32 0.58 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.305 1.442 . . . . 0.0 111.717 -178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 44.4 t -64.45 -43.63 96.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.729 1.211 . . . . 0.0 110.756 -178.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -55.68 137.65 49.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.813 1.645 . . . . 0.0 112.403 -177.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -56.06 26.57 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.429 1.892 . . . . 0.0 111.125 172.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.46 -61.69 1.67 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.673 1.189 . . . . 0.0 110.934 -174.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.88 76.66 1.03 Allowed Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.533 1.54 . . . . 0.0 110.147 -177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -154.77 30.82 0.41 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.128 0.971 . . . . 0.0 113.478 -176.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.93 -63.62 4.36 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.126 0.869 . . . . 0.0 112.196 174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 70.5 p -68.62 164.18 22.06 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 111.809 178.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.0 tp -152.7 121.86 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 124.259 1.024 . . . . 0.0 110.213 171.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -86.53 -177.63 6.21 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.43 1.492 . . . . 0.0 111.374 177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -52.13 -71.22 0.22 Allowed Pre-proline 0 CA--C 1.544 0.714 0 C-N-CA 125.719 1.608 . . . . 0.0 111.962 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.39 -36.73 76.7 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.593 2.862 . . . . 0.0 112.694 -174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -63.15 -35.68 81.11 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.524 1.13 . . . . 0.0 111.879 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -71.86 -42.67 66.58 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.474 0.71 . . . . 0.0 111.678 174.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.4 mp -53.36 -39.31 64.07 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.734 0.814 . . . . 0.0 111.023 172.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.0 m -59.96 -61.14 2.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.093 170.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 66.3 mtp -39.4 -52.88 2.05 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.934 1.294 . . . . 0.0 113.196 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 33.3 mmt -69.48 -60.48 2.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.084 0.954 . . . . 0.0 111.716 -176.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.99 -68.38 0.78 Allowed 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.963 0.905 . . . . 0.0 112.06 -169.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -77.24 -65.74 0.92 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.616 1.166 . . . . 0.0 110.46 -168.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 79.71 132.46 0.05 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.901 2.08 . . . . 0.0 111.647 167.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 79.51 143.34 0.08 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.937 1.695 . . . . 0.0 110.564 -178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -67.91 74.67 0.2 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.935 2.094 . . . . 0.0 110.954 177.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -146.82 148.19 31.63 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.586 1.554 . . . . 0.0 108.874 171.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.0 p -54.11 -67.47 0.26 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.489 1.516 . . . . 0.0 111.895 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -98.48 120.48 38.97 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.389 1.475 . . . . 0.0 107.477 172.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.9 m -134.7 13.11 3.72 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -66.68 -30.9 71.26 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.006 0.821 . . . . 0.0 110.524 156.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.6 -32.88 73.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.205 1.802 . . . . 0.0 112.315 169.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -65.04 -43.46 92.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.925 0.89 . . . . 0.0 110.179 172.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.78 -38.51 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.21 1.004 . . . . 0.0 111.398 172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 40.7 ttt-85 -59.13 -36.69 75.64 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.23 0.923 . . . . 0.0 111.343 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -66.1 -48.22 71.62 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.698 1.199 . . . . 0.0 110.167 175.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.45 -41.32 72.74 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.812 0.845 . . . . 0.0 112.09 173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -60.3 -51.85 67.78 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.868 1.267 . . . . 0.0 111.218 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.98 -26.82 68.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.76 1.164 . . . . 0.0 113.794 -175.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.41 -50.42 27.12 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.361 1.065 . . . . 0.0 110.425 173.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -73.82 -66.4 0.71 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.997 0.919 . . . . 0.0 108.845 -173.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -81.15 136.75 35.92 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.844 1.658 . . . . 0.0 109.95 176.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -76.05 -17.71 59.53 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -92.34 -61.47 1.6 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.319 1.048 . . . . 0.0 110.039 177.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.19 71.99 0.91 Allowed Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.881 1.229 . . . . 0.0 110.825 -178.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -145.13 34.46 1.09 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.286 1.434 . . . . 0.0 111.886 -169.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 58.73 48.23 86.13 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.134 0.873 . . . . 0.0 111.99 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -170.6 132.14 0.93 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.687 2.395 . . . . 0.0 107.322 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.0 mt -131.71 107.24 12.83 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 C-N-CA 124.341 1.056 . . . . 0.0 108.647 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.5 t -71.24 151.32 44.4 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.478 1.111 . . . . 0.0 110.926 176.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.64 -40.54 92.37 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.934 1.293 . . . . 0.0 112.386 176.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -44.31 97.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.827 1.251 . . . . 0.0 111.944 176.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.71 -35.37 80.82 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.305 1.042 . . . . 0.0 111.554 176.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.3 mt -64.86 -45.32 86.56 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.041 0.936 . . . . 0.0 111.644 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.1 ttt-85 -56.57 -35.78 68.57 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.686 0.794 . . . . 0.0 111.8 174.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -62.47 -60.7 3.16 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.223 1.009 . . . . 0.0 111.486 -177.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.24 -34.96 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 124.07 0.948 . . . . 0.0 113.293 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 11.9 mmt -60.15 -53.98 51.33 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.08 0.952 . . . . 0.0 110.173 172.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.9 m -62.21 -36.26 81.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.935 1.694 . . . . 0.0 113.076 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.0 -40.63 58.57 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.855 1.262 . . . . 0.0 112.177 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.39 -60.62 2.77 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.065 0.946 . . . . 0.0 110.033 172.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 135.43 61.78 0.06 OUTLIER Glycine 0 CA--C 1.528 0.845 0 C-N-CA 125.102 1.334 . . . . 0.0 109.821 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -137.01 81.59 1.88 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.575 1.55 . . . . 0.0 107.638 -177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.7 89.35 3.97 Favored 'General case' 0 C--N 1.345 0.38 0 C-N-CA 124.709 1.203 . . . . 0.0 108.115 179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.19 142.26 51.6 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.026 1.73 . . . . 0.0 108.807 175.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 41.2 p -60.98 127.75 33.07 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.412 1.485 . . . . 0.0 111.385 -174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -77.76 10.28 2.86 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.179 1.392 . . . . 0.0 113.855 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.78 -41.59 91.47 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.073 0.949 . . . . 0.0 110.513 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -54.06 -43.9 70.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.021 0.928 . . . . 0.0 111.889 170.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.12 -53.66 45.57 Favored 'Isoleucine or valine' 0 C--N 1.346 0.454 0 C-N-CA 124.308 1.043 . . . . 0.0 110.58 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -57.38 -38.36 74.1 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.514 1.126 . . . . 0.0 112.067 -179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -59.17 -61.18 2.82 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.365 1.066 . . . . 0.0 111.202 174.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -65.41 -24.45 67.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -176.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 70.6 mt -61.72 -62.86 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 165.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 36.9 mtm105 -59.68 -24.48 63.96 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -177.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -59.97 -32.04 70.46 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.57 1.077 . . . . 0.0 111.929 171.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -145.02 78.55 1.57 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.646 1.179 . . . . 0.0 109.831 170.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -137.91 104.45 5.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.944 1.698 . . . . 0.0 106.866 171.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -73.57 -57.35 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.289 1.436 . . . . 0.0 109.873 -175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -58.2 -48.55 79.99 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.745 1.218 . . . . 0.0 111.968 -175.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.54 70.4 1.32 Allowed Glycine 0 CA--C 1.53 1.022 0 C-N-CA 124.521 1.058 . . . . 0.0 110.668 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -146.38 34.08 0.97 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.391 1.476 . . . . 0.0 111.525 177.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 53.84 29.06 41.28 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 125.823 1.678 . . . . 0.0 114.497 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -140.49 167.17 22.79 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.948 1.699 . . . . 0.0 109.974 -174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.22 96.7 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 124.742 1.217 . . . . 0.0 108.677 -175.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 50.5 p-10 -77.74 -174.53 3.51 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.969 0.908 . . . . 0.0 111.464 170.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -62.72 -43.63 98.31 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.22 1.008 . . . . 0.0 112.258 178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -61.74 -5.29 1.87 Allowed 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 175.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -118.88 -41.32 2.78 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.718 1.607 . . . . 0.0 110.55 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -59.05 -51.9 68.07 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 125.739 1.616 . . . . 0.0 110.667 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.45 -44.99 86.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 C-N-CA 123.457 0.703 . . . . 0.0 110.494 176.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -57.46 -34.3 68.86 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.772 1.629 . . . . 0.0 113.563 -179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 5.1 mtp -53.94 -60.36 3.42 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 125.027 1.331 . . . . 0.0 110.912 173.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.7 mpt? -69.22 -24.92 64.08 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.778 0.831 . . . . 0.0 112.452 179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 15.1 m -119.08 65.9 0.78 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.669 1.587 . . . . 0.0 108.616 -179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -92.05 93.69 8.87 Favored 'General case' 0 C--N 1.346 0.424 0 C-N-CA 123.545 0.738 . . . . 0.0 110.087 -173.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.187 0 C-N-CA 125.63 1.572 . . . . 0.0 108.689 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 111.778 -0.529 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 t -148.42 132.93 17.69 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.225 1.41 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -84.82 67.87 10.26 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.701 1.2 . . . . 0.0 110.667 -168.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -129.59 140.42 51.2 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 126.201 1.8 . . . . 0.0 107.904 170.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.85 78.94 9.37 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.912 1.685 . . . . 0.0 109.285 -172.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 73.0 p -106.08 -176.76 3.17 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.205 1.802 . . . . 0.0 111.6 -177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -48.3 -36.74 14.81 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.707 2.003 . . . . 0.0 113.425 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.2 p -56.53 -56.4 21.72 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.664 1.185 . . . . 0.0 111.296 176.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -56.82 -46.02 81.9 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.953 1.301 . . . . 0.0 111.996 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 70.3 t -53.26 -58.37 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.18 1.392 . . . . 0.0 110.515 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -69.09 -23.77 64.05 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -72.36 -53.27 12.79 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.034 0.934 . . . . 0.0 108.584 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -58.25 -35.97 72.52 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.56 1.144 . . . . 0.0 112.483 175.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 1.9 ttp -58.96 -59.87 4.77 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.439 0.696 . . . . 0.0 109.987 171.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 7.1 tt -68.11 -26.24 33.82 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -172.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.2 m -63.62 -51.36 65.58 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.553 1.541 . . . . 0.0 110.09 167.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.96 -28.05 69.82 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.675 1.19 . . . . 0.0 113.205 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 3.4 t90 -67.8 -41.09 83.68 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.354 1.462 . . . . 0.0 109.468 176.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -60.36 -44.51 95.52 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.676 0.791 . . . . 0.0 111.358 169.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -61.79 -29.73 70.34 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.686 1.194 . . . . 0.0 113.219 177.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.84 -47.87 81.4 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 119.576 1.08 . . . . 0.0 109.88 173.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -66.67 -44.26 89.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 124.052 0.941 . . . . 0.0 110.491 178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -48.21 -51.32 25.84 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.668 0.787 . . . . 0.0 110.153 175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.81 -60.88 3.09 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.134 0.973 . . . . 0.0 110.536 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -79.97 59.52 3.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.303 1.841 . . . . 0.0 110.439 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -169.67 -48.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.973 1.709 . . . . 0.0 109.279 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -81.61 70.92 8.6 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 166.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 C--O 1.25 1.12 0 C-N-CA 126.06 1.744 . . . . 0.0 108.275 174.529 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.6 m -74.49 109.19 7.77 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.751 1.22 . . . . 0.0 110.084 -176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -146.9 -178.86 6.42 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.904 1.682 . . . . 0.0 110.404 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 13.6 tttp 70.28 -161.83 0.16 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.436 1.495 . . . . 0.0 110.364 -172.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.46 120.14 1.78 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.175 1.79 . . . . 0.0 107.814 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 48.6 p -75.79 146.02 40.29 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 110.37 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.31 -40.8 74.94 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 111.396 174.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 30.3 t -53.71 -42.94 68.59 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.764 1.625 . . . . 0.0 112.019 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -57.24 -51.64 68.51 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 111.409 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.08 -47.81 85.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.172 1.389 . . . . 0.0 110.589 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -63.24 -39.37 94.41 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.779 1.232 . . . . 0.0 112.395 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 29.7 tp -58.6 -45.84 88.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.403 1.081 . . . . 0.0 110.73 176.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.56 -22.01 65.42 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.285 1.034 . . . . 0.0 113.239 174.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.71 -32.93 62.29 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.251 0.932 . . . . 0.0 111.094 170.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 68.7 mt -65.37 -45.16 94.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 169.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 20.1 m -57.22 -34.27 68.37 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.737 0.815 . . . . 0.0 111.647 172.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.6 -48.57 80.54 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.517 1.053 . . . . 0.0 111.581 174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -54.34 -43.96 71.7 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.777 0.831 . . . . 0.0 112.072 173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 15.1 tmtt? -54.93 -42.93 72.87 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.626 1.17 . . . . 0.0 112.005 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.68 -40.4 95.33 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.009 0.924 . . . . 0.0 111.456 -178.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.91 -52.2 66.49 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.722 0.809 . . . . 0.0 111.509 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 41.7 t -55.96 -40.17 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 122.878 0.471 . . . . 0.0 111.259 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -62.25 -58.7 6.76 Favored 'General case' 0 C--N 1.346 0.414 0 CA-C-O 118.52 -0.752 . . . . 0.0 111.138 172.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -45.19 -35.72 3.42 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.878 1.671 . . . . 0.0 113.244 177.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 68.1 tttt -57.7 -33.76 68.72 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.481 1.512 . . . . 0.0 112.402 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.71 -84.06 0.6 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.464 1.906 . . . . 0.0 109.924 170.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -65.08 107.74 1.62 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.15 1.78 . . . . 0.0 110.764 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 84.8 tttt . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.467 -1.254 . . . . 0.0 109.835 176.835 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 110.808 -0.071 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -73.32 85.87 1.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.284 1.433 . . . . 0.0 110.336 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -158.65 156.94 30.91 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.266 1.426 . . . . 0.0 110.818 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 pp -165.02 147.21 8.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.215 1.806 . . . . 0.0 109.563 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.2 t -125.41 166.99 15.6 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.213 1.405 . . . . 0.0 111.396 -175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -77.63 -3.5 41.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.937 1.695 . . . . 0.0 113.169 -175.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -57.19 -43.72 82.94 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.95 1.3 . . . . 0.0 110.646 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 mm-40 -55.19 -51.61 65.97 Favored 'General case' 0 C--N 1.345 0.388 0 C-N-CA 124.995 1.318 . . . . 0.0 112.063 174.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 72.3 mt -54.36 -52.24 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.577 1.151 . . . . 0.0 109.482 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.31 -39.04 78.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.098 1.359 . . . . 0.0 113.192 176.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -61.97 -49.36 76.42 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.812 0.845 . . . . 0.0 111.295 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -66.32 -38.06 86.82 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.965 0.906 . . . . 0.0 111.89 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.7 tttp -55.68 -52.29 64.36 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.509 1.524 . . . . 0.0 110.833 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -59.36 -48.13 82.8 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.104 1.762 . . . . 0.0 111.952 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.84 -49.38 75.63 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.437 1.095 . . . . 0.0 112.26 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -61.41 -46.39 90.35 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.486 1.114 . . . . 0.0 111.844 175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 t -59.04 -39.87 83.3 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.605 1.162 . . . . 0.0 111.85 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 tp -55.11 -50.45 69.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.043 1.337 . . . . 0.0 111.424 175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.42 -46.77 88.82 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.521 1.529 . . . . 0.0 111.723 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -89.61 75.37 7.49 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.848 0.859 . . . . 0.0 109.764 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -55.64 -36.48 67.08 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.021 0.928 . . . . 0.0 110.826 166.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -55.67 -44.33 77.19 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.086 1.754 . . . . 0.0 111.819 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.59 -21.02 48.05 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.673 1.13 . . . . 0.0 113.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -58.57 -41.47 85.78 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.01 1.324 . . . . 0.0 112.188 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.62 61.85 1.42 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.679 1.133 . . . . 0.0 111.468 173.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.0 p -153.47 83.84 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.073 1.349 . . . . 0.0 108.218 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.2 mt -78.89 86.38 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.0 t -94.09 176.26 6.4 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.119 1.367 . . . . 0.0 111.038 176.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 70.9 p -56.76 -54.06 50.58 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.421 1.488 . . . . 0.0 111.908 178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.1 ttpp -60.78 -43.62 97.83 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.475 1.51 . . . . 0.0 112.183 -174.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -55.31 -51.85 65.38 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.788 1.235 . . . . 0.0 110.342 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -42.94 86.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.322 1.049 . . . . 0.0 111.524 178.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.91 -45.53 61.44 Favored Glycine 0 CA--C 1.535 1.302 0 C-N-CA 124.853 1.216 . . . . 0.0 112.108 173.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.8 m -63.51 -45.85 88.79 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.37 1.068 . . . . 0.0 111.551 177.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 67.8 t -56.99 -51.87 63.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 118.82 0.736 . . . . 0.0 110.759 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 24.6 mmt -55.61 -47.85 75.85 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.085 0.954 . . . . 0.0 111.705 175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -60.83 -45.66 93.58 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.18 1.392 . . . . 0.0 112.251 -177.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 m -63.32 -24.26 67.78 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.276 1.43 . . . . 0.0 112.666 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.6 mt -90.71 -72.72 0.56 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.874 1.269 . . . . 0.0 109.471 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.84 50.67 0.03 OUTLIER Glycine 0 CA--C 1.537 1.444 0 CA-C-O 119.21 -0.772 . . . . 0.0 114.657 172.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -145.63 145.42 30.94 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.457 1.503 . . . . 0.0 109.269 168.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -129.89 75.75 79.15 Favored Pre-proline 0 CA--C 1.541 0.616 0 C-N-CA 125.066 1.346 . . . . 0.0 109.975 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -77.02 157.87 34.27 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.027 3.151 . . . . 0.0 112.12 177.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -78.25 167.61 21.12 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.544 1.138 . . . . 0.0 111.276 172.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -66.83 -39.58 87.7 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.579 1.552 . . . . 0.0 112.044 -178.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.85 -61.38 2.29 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.935 1.294 . . . . 0.0 111.811 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -58.66 -33.8 70.51 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.187 0.995 . . . . 0.0 113.395 178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 -41.88 80.88 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.683 1.193 . . . . 0.0 112.641 173.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -75.18 -58.65 3.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.842 1.257 . . . . 0.0 111.576 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -51.13 -53.65 32.47 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.299 1.44 . . . . 0.0 112.195 -174.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -52.06 -39.95 60.41 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.231 1.012 . . . . 0.0 113.167 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 73.3 mt -71.05 -51.82 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.049 1.34 . . . . 0.0 110.466 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.97 -32.78 74.44 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.366 1.066 . . . . 0.0 113.102 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.82 -33.57 49.79 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.453 1.101 . . . . 0.0 112.361 169.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.2 t -99.49 -37.6 6.15 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 125.237 1.415 . . . . 0.0 111.528 -176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.81 127.15 31.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.07 1.348 . . . . 0.0 110.104 -175.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.79 -68.96 0.19 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.261 1.824 . . . . 0.0 111.424 -179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -64.54 -47.51 78.55 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.145 1.778 . . . . 0.0 111.333 176.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.67 59.82 5.81 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.372 0.987 . . . . 0.0 112.265 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -80.3 -54.8 5.39 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.925 0.89 . . . . 0.0 109.347 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 155.83 -60.85 0.36 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 109.224 -1.55 . . . . 0.0 109.224 -174.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 63.9 p -57.87 163.23 2.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.517 1.527 . . . . 0.0 111.988 172.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 mm -138.33 98.17 1.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 173.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -72.97 178.53 4.24 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.587 1.155 . . . . 0.0 110.719 177.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.94 -54.03 51.5 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-O 118.01 -0.995 . . . . 0.0 112.468 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -57.87 -42.55 57.69 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.614 2.876 . . . . 0.0 112.513 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.68 -32.35 73.41 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.915 1.286 . . . . 0.0 112.652 -178.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.48 -45.27 66.01 Favored 'General case' 0 C--N 1.346 0.433 0 CA-C-N 119.145 0.884 . . . . 0.0 111.123 175.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.7 -35.16 70.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.171 0.588 . . . . 0.0 111.276 172.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.3 m -64.34 -61.43 2.24 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.758 0.823 . . . . 0.0 109.617 172.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.2 mmm -44.15 -47.3 9.05 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.755 1.622 . . . . 0.0 112.661 178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -73.92 -71.0 0.35 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.647 1.579 . . . . 0.0 111.094 -178.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.46 -61.39 2.02 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.272 0.629 . . . . 0.0 112.323 -166.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -71.06 -62.03 1.54 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.717 0.807 . . . . 0.0 110.441 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? 75.03 135.54 0.05 Allowed 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 127.87 2.468 . . . . 0.0 112.458 165.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 6.8 tpt 103.04 150.15 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 129.881 3.272 . . . . 0.0 110.463 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -75.38 71.36 2.34 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.891 1.276 . . . . 0.0 112.26 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -141.86 -176.98 4.98 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.534 1.134 . . . . 0.0 110.659 175.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.9 p -78.8 -74.15 0.29 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.641 1.176 . . . . 0.0 108.591 170.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -86.15 61.41 6.82 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 126.177 1.791 . . . . 0.0 108.779 178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.7 m -63.74 -28.58 69.98 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.245 1.018 . . . . 0.0 113.429 -167.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.49 -40.48 18.58 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.167 1.787 . . . . 0.0 113.383 169.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -64.72 -47.99 76.25 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.206 1.002 . . . . 0.0 111.761 179.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -63.48 -28.53 70.03 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.596 1.158 . . . . 0.0 112.13 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.4 mm -80.15 -36.15 16.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 125.088 1.355 . . . . 0.0 111.347 173.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -44.76 80.56 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 118.995 0.816 . . . . 0.0 110.151 169.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.19 -53.2 61.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.567 1.547 . . . . 0.0 110.62 172.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.37 -40.95 71.93 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.094 0.958 . . . . 0.0 113.043 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.53 -45.16 95.35 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.379 1.072 . . . . 0.0 110.931 174.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.0 mtm180 -64.06 -23.93 67.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.809 0.843 . . . . 0.0 113.078 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -76.56 -57.17 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 119.573 1.078 . . . . 0.0 110.205 170.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -65.6 -59.49 3.9 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 125.279 1.432 . . . . 0.0 109.96 -172.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -81.22 148.97 29.25 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.499 1.919 . . . . 0.0 109.661 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -97.81 43.78 1.06 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.228 1.011 . . . . 0.0 110.903 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.0 -58.75 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.196 1.398 . . . . 0.0 111.507 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 166.0 -120.2 0.91 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -169.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -150.32 58.01 0.95 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.116 0.958 . . . . 0.0 109.905 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.01 -55.82 0.63 Allowed Glycine 0 CA--C 1.531 1.053 0 C-N-CA 126.014 1.769 . . . . 0.0 110.869 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -146.08 92.04 2.14 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.871 1.668 . . . . 0.0 108.375 178.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.6 mt -79.42 93.1 1.68 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -66.91 151.15 48.13 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.959 1.304 . . . . 0.0 110.219 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.83 -43.26 27.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.257 1.423 . . . . 0.0 112.826 177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -45.43 57.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.053 1.741 . . . . 0.0 113.365 174.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -57.82 -38.13 75.03 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.573 1.149 . . . . 0.0 112.32 -176.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -70.77 -50.76 32.47 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.988 0.915 . . . . 0.0 110.035 173.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -39.1 62.74 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.921 1.288 . . . . 0.0 111.774 -177.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -58.25 -56.7 18.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.542 1.137 . . . . 0.0 110.51 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.8 t -48.8 -41.35 12.68 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 111.997 176.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 24.1 mmt -66.02 -48.0 72.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.519 0.727 . . . . 0.0 111.142 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.4 m -61.16 -41.99 97.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.66 1.584 . . . . 0.0 112.393 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -50.32 -44.92 54.49 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.661 1.585 . . . . 0.0 112.088 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.7 mt -63.6 -49.07 74.78 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.36 1.064 . . . . 0.0 110.395 173.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.48 -35.3 1.89 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.359 1.457 . . . . 0.0 111.349 -175.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -58.01 123.68 16.73 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.831 1.652 . . . . 0.0 111.112 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -131.12 73.14 1.53 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.953 1.701 . . . . 0.0 107.981 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.87 159.05 19.79 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.143 1.377 . . . . 0.0 109.447 172.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 3.3 p -61.98 120.57 11.06 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.555 0.742 . . . . 0.0 110.815 -177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -63.0 -13.3 33.49 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.785 2.034 . . . . 0.0 114.103 -175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -61.43 -32.94 72.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.039 0.936 . . . . 0.0 112.379 178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -60.44 -41.36 93.9 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.169 0.587 . . . . 0.0 111.973 172.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.54 -51.47 72.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.426 0 C-N-CA 123.81 0.844 . . . . 0.0 109.977 175.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -56.29 -37.97 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.815 1.246 . . . . 0.0 112.448 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.86 -54.95 30.85 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.022 1.329 . . . . 0.0 111.067 176.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -75.7 -0.54 21.17 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 177.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 57.6 mt -81.6 -51.84 14.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 159.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -58.48 -25.12 61.97 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.954 1.702 . . . . 0.0 115.578 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -52.64 -34.88 53.4 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.534 1.061 . . . . 0.0 113.667 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -154.14 64.47 0.7 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.613 1.565 . . . . 0.0 108.331 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -96.73 89.59 4.98 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.107 1.363 . . . . 0.0 108.982 -178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 45.5 mm -60.1 -42.74 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 C-N-CA 125.452 1.501 . . . . 0.0 111.74 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -58.91 -60.64 3.54 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.79 1.236 . . . . 0.0 111.35 177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 115.08 59.96 0.36 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 126.438 1.971 . . . . 0.0 110.98 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 58.2 p30 -163.28 -145.46 0.1 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.97 1.308 . . . . 0.0 110.027 -172.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.72 37.22 2.77 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.184 1.85 . . . . 0.0 111.222 173.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -127.4 166.3 18.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.442 2.297 . . . . 0.0 108.905 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -138.24 124.9 26.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 124.531 1.132 . . . . 0.0 109.993 -176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -91.16 -170.23 2.59 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.259 1.823 . . . . 0.0 110.811 175.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -63.41 1.1 Allowed 'General case' 0 C--N 1.344 0.331 0 C-N-CA 124.543 1.137 . . . . 0.0 110.882 177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.12 58.27 2.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.209 1.403 . . . . 0.0 109.293 176.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -163.9 -45.45 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.39 1.876 . . . . 0.0 109.5 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -61.9 -48.71 79.25 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 124.4 1.08 . . . . 0.0 110.162 167.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 94.7 t -58.92 -50.04 80.97 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.517 0.727 . . . . 0.0 109.812 172.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -57.92 -40.87 81.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.21 1.404 . . . . 0.0 113.036 -177.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 34.7 mtp -57.39 -54.3 48.39 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 110.863 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -72.69 -9.27 58.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.82 1.248 . . . . 0.0 113.296 175.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.1 m -132.26 61.97 1.65 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 126.39 1.876 . . . . 0.0 107.783 -178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.71 115.1 20.04 Favored 'General case' 0 C--N 1.343 0.299 0 C-N-CA 123.477 0.711 . . . . 0.0 110.487 -169.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.0 tttm . . . . . 0 C--O 1.252 1.185 0 C-N-CA 124.935 1.294 . . . . 0.0 108.577 168.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.814 -0.514 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -150.1 85.27 1.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.483 1.513 . . . . 0.0 107.969 -178.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -59.85 126.81 29.01 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.827 1.251 . . . . 0.0 109.833 178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -153.19 82.1 1.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.309 1.044 . . . . 0.0 108.76 -175.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -136.31 79.32 1.76 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.606 1.562 . . . . 0.0 108.692 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 67.7 p -70.92 145.83 49.91 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.408 1.083 . . . . 0.0 111.252 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -50.71 -50.3 55.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.303 1.441 . . . . 0.0 111.859 -176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 32.3 t -55.56 -54.13 47.9 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.074 1.749 . . . . 0.0 112.067 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.62 -42.5 88.36 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.105 1.362 . . . . 0.0 112.653 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.25 -54.46 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.097 0.959 . . . . 0.0 111.0 -178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -61.17 -40.43 93.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.864 0.866 . . . . 0.0 112.054 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.8 tt -56.5 -47.38 79.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.455 1.502 . . . . 0.0 110.61 175.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -58.26 -43.43 87.89 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.41 1.484 . . . . 0.0 112.242 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 67.9 mtm -56.27 -58.75 6.63 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-N 118.679 0.672 . . . . 0.0 111.157 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 tt -63.06 -32.64 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 90.2 m -59.85 -53.2 60.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.9 0.88 . . . . 0.0 110.455 172.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -24.85 67.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.358 1.063 . . . . 0.0 113.316 175.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -68.52 -39.59 81.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.781 1.232 . . . . 0.0 110.591 177.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.87 -39.96 95.43 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.913 1.285 . . . . 0.0 111.786 171.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -61.23 -35.58 77.64 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.394 1.078 . . . . 0.0 112.603 176.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -50.73 72.71 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-N 119.291 0.95 . . . . 0.0 109.759 175.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 63.6 t -61.65 -38.1 79.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 C-N-CA 124.629 1.171 . . . . 0.0 111.269 -177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -59.21 -64.16 1.04 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.507 0.723 . . . . 0.0 109.544 171.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.99 -45.51 15.83 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.443 1.497 . . . . 0.0 113.171 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 tttm -73.27 -53.4 10.94 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.113 1.365 . . . . 0.0 110.782 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -118.19 83.93 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.122 2.169 . . . . 0.0 109.234 -177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -162.25 90.34 0.74 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 105.519 -2.03 . . . . 0.0 105.519 167.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 64.5 pttt . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.818 1.647 . . . . 0.0 111.655 -170.784 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.23 0 CA-C-O 120.946 0.192 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m -103.3 -59.95 1.63 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.536 1.534 . . . . 0.0 110.08 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.72 174.1 15.78 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.823 1.649 . . . . 0.0 110.377 179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -146.04 128.54 16.01 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.105 1.362 . . . . 0.0 108.978 -179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -80.44 120.62 24.68 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.595 1.558 . . . . 0.0 110.359 -175.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 69.7 p -90.03 148.01 23.32 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.094 1.357 . . . . 0.0 110.368 173.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -63.33 -31.55 72.73 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.602 1.161 . . . . 0.0 112.123 171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 98.1 p -53.55 -51.99 61.15 Favored 'General case' 0 C--N 1.346 0.439 0 C-N-CA 124.577 1.151 . . . . 0.0 111.01 174.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -63.15 -41.58 99.29 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.605 1.162 . . . . 0.0 112.345 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 95.5 t -52.83 -53.04 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 CA-C-N 119.421 1.01 . . . . 0.0 110.83 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -77.5 -22.06 51.82 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.696 0.798 . . . . 0.0 112.976 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tp -64.26 -46.99 81.31 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.219 0.918 . . . . 0.0 110.037 169.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -70.56 -19.06 62.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.966 1.306 . . . . 0.0 113.425 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 5.4 ttp -64.67 -38.23 90.29 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.96 0.904 . . . . 0.0 110.338 165.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 44.6 mt -70.36 -37.39 70.65 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 C-N-CA 124.012 0.925 . . . . 0.0 110.696 175.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 32.6 m -53.53 -46.32 70.12 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.812 0.733 . . . . 0.0 110.659 169.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.58 96.37 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -52.15 -50.38 61.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.479 1.112 . . . . 0.0 111.264 175.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -61.48 -46.21 90.97 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.292 1.037 . . . . 0.0 111.925 175.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -61.26 -43.47 98.82 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.769 1.228 . . . . 0.0 111.983 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -40.89 91.32 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 118.385 0.539 . . . . 0.0 111.826 174.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 69.4 t -62.86 -36.12 74.15 Favored 'Isoleucine or valine' 0 C--N 1.346 0.43 0 CA-C-O 118.472 -0.775 . . . . 0.0 111.358 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -58.68 -49.49 77.35 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.184 0.902 . . . . 0.0 110.815 174.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -56.1 -52.96 62.42 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.302 1.041 . . . . 0.0 111.053 174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -56.31 -36.08 68.28 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.381 1.873 . . . . 0.0 112.714 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -56.96 -49.39 75.82 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.853 1.261 . . . . 0.0 111.783 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.55 151.75 46.66 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.817 0.847 . . . . 0.0 110.407 173.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 50.7 tptt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.676 1.99 . . . . 0.0 110.751 -179.042 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.11 101.24 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.671 1.988 . . . . 0.0 111.233 -178.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.4 mp0 -72.55 157.61 37.26 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.017 1.327 . . . . 0.0 111.132 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.89 -46.91 86.74 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.899 1.279 . . . . 0.0 111.264 175.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -128.71 153.8 46.97 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.019 1.728 . . . . 0.0 111.062 -176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -80.65 -3.46 50.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.303 1.441 . . . . 0.0 112.561 171.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -58.57 -39.79 81.32 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.326 1.051 . . . . 0.0 111.071 173.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -53.26 -54.37 37.23 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.121 1.368 . . . . 0.0 111.4 172.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.25 -50.28 80.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 124.916 1.286 . . . . 0.0 110.45 -177.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.41 -45.63 72.97 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.186 1.394 . . . . 0.0 112.298 175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.31 -47.11 87.43 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.847 1.259 . . . . 0.0 111.348 178.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -66.92 -36.35 82.05 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.312 1.045 . . . . 0.0 113.227 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -60.25 -53.35 58.7 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.584 0.753 . . . . 0.0 110.546 172.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -53.24 -46.99 69.4 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.023 1.329 . . . . 0.0 111.765 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.36 -51.96 66.62 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.008 1.323 . . . . 0.0 112.24 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -64.09 -48.15 77.3 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.552 1.141 . . . . 0.0 111.642 -178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.5 m -58.39 -30.5 66.88 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.096 1.358 . . . . 0.0 112.749 179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.5 tp -55.91 -49.48 73.33 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.231 1.012 . . . . 0.0 110.998 176.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.05 -52.18 15.32 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.688 1.595 . . . . 0.0 111.712 176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.19 77.98 2.99 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.014 1.326 . . . . 0.0 109.042 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -57.59 -43.73 84.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.691 1.196 . . . . 0.0 110.518 172.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -60.23 -47.28 86.65 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.561 1.144 . . . . 0.0 110.704 174.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.85 7.43 88.52 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-O 118.66 -1.078 . . . . 0.0 114.265 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -64.35 -43.68 93.84 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.907 1.354 . . . . 0.0 110.827 174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.02 62.44 0.26 Allowed Glycine 0 CA--C 1.529 0.947 0 C-N-CA 126.198 1.856 . . . . 0.0 110.942 172.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -152.54 124.97 8.22 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.546 1.539 . . . . 0.0 109.574 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 74.3 mt -114.02 112.81 41.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.4 t -133.38 -174.89 3.63 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.201 1.0 . . . . 0.0 111.508 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 74.2 p -55.22 -50.93 68.18 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.341 1.856 . . . . 0.0 111.953 -178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -43.7 85.18 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.873 1.269 . . . . 0.0 111.861 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -65.67 -53.28 43.38 Favored 'General case' 0 C--N 1.347 0.463 0 C-N-CA 124.019 0.928 . . . . 0.0 111.482 179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.53 -37.92 73.84 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.094 0.558 . . . . 0.0 111.399 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.69 -47.7 63.63 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.08 1.324 . . . . 0.0 112.234 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.8 m -60.12 -52.0 67.2 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 124.593 1.157 . . . . 0.0 111.092 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 90.1 t -56.56 -55.3 20.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.435 1.094 . . . . 0.0 110.928 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.0 mmt -57.72 -48.53 79.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.363 1.065 . . . . 0.0 111.83 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -69.4 -42.42 75.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.247 1.019 . . . . 0.0 111.975 -176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.0 p -57.19 -37.05 71.6 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.561 1.145 . . . . 0.0 111.675 177.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 62.5 mt -69.59 -59.55 2.89 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.388 1.075 . . . . 0.0 109.834 171.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.59 52.32 0.02 OUTLIER Glycine 0 CA--C 1.534 1.229 0 C-N-CA 124.093 0.854 . . . . 0.0 112.862 172.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -148.0 134.25 19.46 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.14 1.376 . . . . 0.0 109.538 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -109.13 90.46 8.05 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 125.477 1.511 . . . . 0.0 110.124 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -77.99 166.1 25.4 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.714 2.943 . . . . 0.0 111.913 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.4 m -86.39 132.41 33.96 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.462 1.505 . . . . 0.0 109.827 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -51.56 -53.15 41.02 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.825 1.65 . . . . 0.0 112.01 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.01 -41.78 62.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.441 1.496 . . . . 0.0 112.095 -177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -65.82 -54.18 30.32 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.578 1.151 . . . . 0.0 111.166 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 57.5 mt -48.67 -36.09 15.27 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.804 0.841 . . . . 0.0 113.163 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -58.07 -69.29 0.18 Allowed 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.005 0.922 . . . . 0.0 109.454 174.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -55.63 -41.9 74.18 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.764 1.626 . . . . 0.0 113.029 -175.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.4 mtp -46.41 -53.46 11.0 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.418 1.887 . . . . 0.0 112.184 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -87.33 -47.13 16.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.867 0.867 . . . . 0.0 110.421 178.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -58.03 -26.41 62.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.345 1.858 . . . . 0.0 113.747 -172.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -47.56 -54.12 12.62 Favored 'General case' 0 C--N 1.346 0.421 0 C-N-CA 125.645 1.578 . . . . 0.0 112.117 175.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 55.6 t -66.96 -37.77 80.06 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.881 0.872 . . . . 0.0 111.693 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 50.5 t0 -63.43 120.3 11.39 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.175 1.39 . . . . 0.0 110.708 -177.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -60.48 3.01 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.541 1.137 . . . . 0.0 110.971 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.21 -44.39 92.26 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.191 1.396 . . . . 0.0 111.917 179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.32 60.09 3.15 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.786 1.184 . . . . 0.0 111.738 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -88.77 -17.62 29.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.946 0.898 . . . . 0.0 113.289 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 88.73 -43.22 3.08 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-N 119.499 1.045 . . . . 0.0 111.4 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 35.8 p -77.22 105.77 8.54 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.595 1.558 . . . . 0.0 108.493 168.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mm -93.9 92.22 3.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -71.8 -176.27 1.61 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.824 2.049 . . . . 0.0 112.076 -172.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.57 -51.08 83.05 Favored Pre-proline 0 CA--C 1.541 0.609 0 C-N-CA 124.713 1.205 . . . . 0.0 111.481 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.64 -47.3 24.34 Favored 'Trans proline' 0 C--N 1.353 0.766 0 C-N-CA 123.586 2.857 . . . . 0.0 112.362 173.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -62.2 -38.04 87.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.54 1.136 . . . . 0.0 112.552 -174.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -72.16 -53.35 12.95 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.952 0.796 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.1 mp -51.92 -39.04 58.47 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.509 1.524 . . . . 0.0 111.799 173.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.9 m -64.97 -73.56 0.12 Allowed 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 124.058 0.943 . . . . 0.0 108.763 171.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 46.1 ttp -31.0 -53.0 0.19 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 127.804 2.442 . . . . 0.0 113.98 -178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.6 mmt -69.2 -64.72 0.82 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.691 1.596 . . . . 0.0 111.353 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.23 -66.52 0.86 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.978 0.911 . . . . 0.0 112.601 -173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.11 -57.63 4.33 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.336 1.454 . . . . 0.0 110.52 -175.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.9 tttm 85.6 113.96 0.05 OUTLIER 'General case' 0 C--N 1.343 0.286 0 C-N-CA 129.695 3.198 . . . . 0.0 110.474 -177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.6 ttm 71.16 135.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.794 2.038 . . . . 0.0 111.352 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.05 87.78 6.89 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.024 0.93 . . . . 0.0 110.291 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -138.62 -171.98 3.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.342 2.257 . . . . 0.0 109.046 168.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.8 p -76.59 -71.62 0.38 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.259 1.024 . . . . 0.0 110.556 178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -84.46 60.3 5.95 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.476 1.51 . . . . 0.0 109.735 -175.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.7 m -77.83 -45.8 23.34 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 126.129 1.771 . . . . 0.0 111.849 -173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -58.96 -33.51 70.72 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 118.328 0.513 . . . . 0.0 111.722 171.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.19 -39.65 87.27 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.129 1.372 . . . . 0.0 110.753 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -57.67 -38.33 74.94 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.421 1.088 . . . . 0.0 112.757 177.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.68 -45.0 98.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 123.981 0.912 . . . . 0.0 110.787 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -60.25 -41.4 93.11 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.802 1.241 . . . . 0.0 111.554 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -58.08 -57.29 13.47 Favored 'General case' 0 C--N 1.346 0.43 0 C-N-CA 124.211 1.005 . . . . 0.0 110.843 171.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -41.58 63.5 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.611 1.165 . . . . 0.0 112.622 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -59.54 -54.82 42.16 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 124.253 1.021 . . . . 0.0 110.605 174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -62.51 -28.36 69.79 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -176.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 82.3 t -69.58 -49.08 62.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.516 0.726 . . . . 0.0 110.295 172.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.07 -69.31 0.45 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.882 0.873 . . . . 0.0 109.739 -175.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.69 144.03 57.52 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.021 1.729 . . . . 0.0 110.557 176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -90.8 39.18 0.97 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.151 0.98 . . . . 0.0 111.294 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -151.92 -63.35 0.17 Allowed 'General case' 0 C--N 1.347 0.464 0 C-N-CA 126.572 1.949 . . . . 0.0 108.312 173.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.03 66.86 1.89 Allowed Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.474 1.035 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -135.73 29.52 3.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.364 1.466 . . . . 0.0 111.083 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.43 -56.29 4.5 Favored Glycine 0 C--N 1.345 1.06 0 C-N-CA 124.321 0.962 . . . . 0.0 111.663 -170.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -64.06 124.95 22.94 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.091 1.756 . . . . 0.0 109.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.9 mt -127.62 105.26 13.43 Favored 'Isoleucine or valine' 0 C--N 1.345 0.411 0 C-N-CA 125.45 1.5 . . . . 0.0 108.727 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.6 m -70.27 149.13 47.75 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.67 1.188 . . . . 0.0 111.213 177.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.02 -43.49 81.93 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.557 1.543 . . . . 0.0 112.394 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.06 -46.25 89.97 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.724 1.209 . . . . 0.0 112.122 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.65 -38.84 89.22 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.665 1.186 . . . . 0.0 111.239 175.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -48.52 81.39 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.535 1.534 . . . . 0.0 111.081 174.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -59.86 -44.43 94.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.193 0.997 . . . . 0.0 111.336 176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -56.19 -49.84 72.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.775 1.23 . . . . 0.0 112.53 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.1 p -62.95 -38.52 82.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-O 119.032 -0.508 . . . . 0.0 111.923 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 94.0 mtp -64.27 -44.55 91.37 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.828 0.851 . . . . 0.0 111.441 176.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 90.9 m -61.48 -41.03 96.63 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.653 1.581 . . . . 0.0 111.669 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -50.6 -40.16 51.89 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.002 1.721 . . . . 0.0 113.979 -172.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 mp -69.26 -64.46 0.87 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.699 0.681 . . . . 0.0 110.276 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 158.35 71.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 C-N-CA 123.771 0.701 . . . . 0.0 111.683 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -157.92 140.9 14.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.678 1.191 . . . . 0.0 110.146 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -128.59 82.55 2.09 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.844 1.258 . . . . 0.0 109.165 -174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.03 134.3 54.92 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.296 1.838 . . . . 0.0 108.585 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.0 p -64.67 127.91 33.56 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.847 1.259 . . . . 0.0 111.57 -171.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -76.36 15.17 0.63 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.155 1.382 . . . . 0.0 114.66 -174.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.87 -37.14 83.86 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.07 0.948 . . . . 0.0 111.125 171.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mp0 -62.32 -48.67 78.81 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.328 1.051 . . . . 0.0 110.743 170.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 99.6 t -50.48 -53.39 12.68 Favored 'Isoleucine or valine' 0 C--N 1.347 0.476 0 C-N-CA 125.023 1.329 . . . . 0.0 110.132 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.8 -45.97 70.94 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.662 1.185 . . . . 0.0 112.443 175.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.19 -52.12 66.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.135 0.88 . . . . 0.0 111.405 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -76.2 3.82 9.93 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 87.7 mt -87.31 -56.75 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 158.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -49.61 -33.0 14.07 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.174 1.79 . . . . 0.0 114.243 -178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -48.44 -34.85 11.71 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.662 1.185 . . . . 0.0 113.794 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.99 58.51 1.04 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.848 0.859 . . . . 0.0 110.363 167.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -89.7 97.37 11.15 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.885 1.274 . . . . 0.0 108.857 172.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 50.3 mm -68.04 -46.62 81.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.664 1.186 . . . . 0.0 111.358 -178.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -55.76 -53.94 50.54 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.831 1.252 . . . . 0.0 112.975 -175.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 103.51 65.14 0.71 Allowed Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.003 -1.239 . . . . 0.0 110.003 -175.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 31.6 p30 -168.94 -157.45 0.18 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.925 2.09 . . . . 0.0 109.344 -175.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -116.58 61.6 0.4 Allowed Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.762 1.649 . . . . 0.0 109.973 172.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -139.9 161.47 37.5 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.849 1.66 . . . . 0.0 110.133 -176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 67.1 t -138.4 103.16 2.2 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 C-N-CA 124.68 1.192 . . . . 0.0 109.468 -176.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -76.39 -176.32 3.61 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.647 1.179 . . . . 0.0 111.423 175.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -55.97 -60.98 2.7 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.647 1.179 . . . . 0.0 110.691 173.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -57.62 -45.32 85.52 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.823 1.249 . . . . 0.0 112.014 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -57.77 -50.07 74.48 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.671 0.788 . . . . 0.0 111.471 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -49.76 -47.15 51.11 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.982 1.313 . . . . 0.0 112.043 175.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.4 t -59.49 -59.78 3.4 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.215 1.006 . . . . 0.0 109.871 175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -57.31 -29.58 64.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.836 1.254 . . . . 0.0 114.025 -175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.1 mtp -70.03 -58.61 3.62 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.59 1.086 . . . . 0.0 111.147 173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 55.7 mtt -74.77 -7.52 53.63 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 14.2 m -139.44 63.18 1.51 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.28 1.832 . . . . 0.0 106.535 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -85.57 98.18 10.49 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.835 1.254 . . . . 0.0 108.8 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 78.0 tttt . . . . . 0 C--O 1.251 1.176 0 C-N-CA 128.172 2.589 . . . . 0.0 111.224 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.072 0 N-CA-C 111.814 -0.515 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.6 t -156.8 134.7 11.01 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.838 1.255 . . . . 0.0 109.765 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -122.29 37.91 4.27 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.561 1.544 . . . . 0.0 110.321 169.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -91.24 74.27 6.19 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.306 1.442 . . . . 0.0 108.194 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 11.4 mptt 67.88 155.59 0.11 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.391 2.276 . . . . 0.0 112.207 -176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 71.2 p -112.11 141.71 45.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.281 1.432 . . . . 0.0 110.257 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -46.12 -46.36 17.03 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.275 1.43 . . . . 0.0 111.798 172.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 35.3 t -56.23 -60.82 2.95 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.079 1.352 . . . . 0.0 111.454 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -63.0 -45.38 92.68 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 123.584 0.754 . . . . 0.0 111.968 -174.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 53.9 t -51.06 -53.68 13.51 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 125.315 1.446 . . . . 0.0 111.003 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -65.62 -24.65 67.1 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.44 1.096 . . . . 0.0 112.818 178.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 6.4 tt -78.57 -46.94 18.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.517 1.127 . . . . 0.0 110.812 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.65 -37.15 70.37 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.358 0.526 . . . . 0.0 111.46 168.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 56.5 ttp -61.55 -45.6 93.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.953 0.901 . . . . 0.0 111.574 172.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -41.25 92.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 124.168 0.987 . . . . 0.0 111.252 179.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -60.37 -52.44 65.23 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.812 1.245 . . . . 0.0 110.055 175.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.36 -40.48 82.37 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.683 1.193 . . . . 0.0 113.424 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -60.84 -40.07 91.49 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.747 1.219 . . . . 0.0 110.809 179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -64.7 -41.31 96.1 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.09 2.156 . . . . 0.0 111.526 173.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -38.0 89.49 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.605 1.162 . . . . 0.0 112.978 179.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.96 -45.64 89.99 Favored 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.245 0.929 . . . . 0.0 110.486 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 t -58.87 -47.69 88.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.733 0.813 . . . . 0.0 110.113 175.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.33 -49.07 35.57 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.658 1.183 . . . . 0.0 111.45 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -65.26 -62.15 1.7 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.216 1.407 . . . . 0.0 111.263 175.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -59.06 -60.02 4.53 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.661 1.584 . . . . 0.0 112.238 -171.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -43.19 -49.77 6.45 Favored 'General case' 0 C--N 1.343 0.3 0 C-N-CA 126.73 2.012 . . . . 0.0 111.459 -178.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.7 mtpm? -81.17 75.79 8.13 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.064 1.346 . . . . 0.0 108.792 172.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 ptpp? . . . . . 0 C--O 1.252 1.203 0 C-N-CA 126.432 1.893 . . . . 0.0 112.417 -175.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.214 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -70.28 -64.85 0.81 Allowed 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.877 1.271 . . . . 0.0 110.159 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 24.7 m80 -126.89 106.43 9.31 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.014 1.726 . . . . 0.0 108.485 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.69 114.69 16.78 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.911 1.284 . . . . 0.0 108.066 176.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -66.87 126.76 30.08 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.688 -174.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 73.9 p -119.23 156.24 30.27 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.968 1.307 . . . . 0.0 111.98 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -63.08 -37.62 87.92 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.058 1.743 . . . . 0.0 111.266 168.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -58.57 -52.51 65.35 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 125.197 1.399 . . . . 0.0 111.122 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -53.74 -50.16 66.59 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.404 1.481 . . . . 0.0 111.661 175.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 79.8 t -56.37 -46.93 82.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 123.922 0.889 . . . . 0.0 111.741 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -37.85 78.06 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.444 1.098 . . . . 0.0 111.85 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.54 -45.64 84.85 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.198 1.399 . . . . 0.0 111.162 172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -72.91 -27.07 61.66 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.566 1.146 . . . . 0.0 112.634 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -69.75 -29.65 67.06 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.996 0.918 . . . . 0.0 111.018 170.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 89.0 mt -71.0 -40.18 75.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.978 0.911 . . . . 0.0 110.573 165.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 30.2 m -55.84 -38.74 70.46 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.94 1.246 . . . . 0.0 111.436 174.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.8 -27.09 62.81 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.626 1.171 . . . . 0.0 113.094 173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -67.69 -39.79 84.42 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.574 0.75 . . . . 0.0 111.404 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -52.95 -44.49 67.13 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.673 1.189 . . . . 0.0 111.336 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 11.3 mmpt? -61.86 -49.91 74.37 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.655 1.182 . . . . 0.0 112.929 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -61.68 -42.12 98.5 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-N 120.058 1.299 . . . . 0.0 112.043 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 76.1 t -58.77 -53.54 46.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 124.345 1.058 . . . . 0.0 109.884 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -53.18 -56.26 17.77 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.835 1.654 . . . . 0.0 111.387 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -54.19 -50.48 66.95 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.025 1.33 . . . . 0.0 112.022 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 26.2 mmtm -65.91 -32.99 74.81 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.801 1.24 . . . . 0.0 113.406 -178.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -54.85 -57.48 11.44 Favored 'General case' 0 C--N 1.348 0.525 0 C-N-CA 124.559 1.144 . . . . 0.0 111.03 -175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 3.3 tmpt? -71.19 132.22 44.68 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 171.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.149 0 C-N-CA 124.981 1.312 . . . . 0.0 108.912 -177.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -169.79 146.41 3.2 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.556 1.542 . . . . 0.0 109.366 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.88 145.18 30.63 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.797 1.239 . . . . 0.0 110.372 176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 63.9 mt 68.01 149.4 0.06 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 127.392 2.277 . . . . 0.0 112.712 -171.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -78.78 151.81 31.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.968 1.307 . . . . 0.0 111.781 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -74.13 -17.22 60.96 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.825 1.65 . . . . 0.0 112.781 177.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -50.61 -44.41 57.11 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.95 1.3 . . . . 0.0 111.496 175.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -47.65 -52.31 18.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.762 1.625 . . . . 0.0 111.703 173.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 84.0 mt -65.38 -46.46 90.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 C-N-CA 125.948 1.699 . . . . 0.0 110.518 -178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -38.42 67.35 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.995 1.318 . . . . 0.0 112.96 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.33 -44.45 83.31 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.158 0.983 . . . . 0.0 111.648 177.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -64.69 -41.86 95.75 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.959 0.904 . . . . 0.0 112.299 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -56.21 -51.9 66.38 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.189 0.995 . . . . 0.0 110.553 173.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -59.98 -48.17 82.83 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.851 1.26 . . . . 0.0 111.072 179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.62 -49.6 70.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.013 1.325 . . . . 0.0 111.696 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -58.49 -46.59 86.36 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.945 1.298 . . . . 0.0 111.93 178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.7 m -58.6 -37.62 76.21 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.381 1.472 . . . . 0.0 113.347 -176.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 99.7 mt -57.18 -47.92 80.04 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.986 1.315 . . . . 0.0 112.002 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -75.61 -47.57 25.98 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.053 0.941 . . . . 0.0 110.805 175.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -78.72 72.67 5.26 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.19 1.396 . . . . 0.0 109.981 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -70.32 -43.88 69.39 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.758 1.623 . . . . 0.0 111.607 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -56.16 -50.04 72.28 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.637 1.175 . . . . 0.0 111.736 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.75 -29.49 7.46 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.709 1.147 . . . . 0.0 112.693 -179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -46.27 -38.92 9.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.326 1.85 . . . . 0.0 114.6 -177.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.02 30.06 5.26 Favored Glycine 0 CA--C 1.538 1.529 0 C-N-CA 124.974 1.273 . . . . 0.0 113.562 175.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.5 p -141.16 132.0 25.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.116 1.766 . . . . 0.0 108.003 174.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 32.2 mt -111.35 82.47 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 N-CA-C 106.617 -1.624 . . . . 0.0 106.617 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.4 t -80.84 174.45 11.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.578 1.151 . . . . 0.0 112.478 -171.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -64.65 -43.44 93.65 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.099 1.759 . . . . 0.0 112.386 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -59.71 -48.92 79.77 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.192 1.397 . . . . 0.0 110.813 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 tt0 -58.99 -42.66 90.55 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.368 1.867 . . . . 0.0 111.744 174.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 -48.24 80.52 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.031 0.932 . . . . 0.0 109.943 174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.12 -48.5 52.66 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.091 1.329 . . . . 0.0 112.945 176.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 m -55.47 -34.76 64.83 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.244 1.418 . . . . 0.0 112.899 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 80.9 t -66.1 -50.74 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 123.861 0.865 . . . . 0.0 110.92 177.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 62.6 mtt -58.78 -44.94 90.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.367 0.667 . . . . 0.0 111.832 174.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -52.24 -51.23 59.56 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.53 1.532 . . . . 0.0 111.42 175.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.1 t -52.18 -51.37 58.47 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.386 1.474 . . . . 0.0 111.908 -178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 97.7 mt -58.84 -67.36 0.37 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.377 1.071 . . . . 0.0 110.052 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 152.45 53.9 0.01 OUTLIER Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.424 1.011 . . . . 0.0 111.698 174.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -142.13 136.37 29.98 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.498 1.519 . . . . 0.0 108.911 174.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -113.5 89.5 15.38 Favored Pre-proline 0 CA--C 1.538 0.507 0 C-N-CA 125.389 1.476 . . . . 0.0 108.886 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -76.95 179.48 6.47 Favored 'Trans proline' 0 CA--C 1.54 0.784 0 C-N-CA 123.5 2.8 . . . . 0.0 111.546 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.0 p -80.75 -157.82 0.17 Allowed 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.949 1.3 . . . . 0.0 110.363 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -122.24 -41.88 2.39 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.603 1.961 . . . . 0.0 110.316 175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.72 -47.33 73.88 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.182 1.393 . . . . 0.0 112.32 177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.49 -44.13 91.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.742 0.817 . . . . 0.0 111.633 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -56.15 -38.64 71.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.918 0.887 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -68.08 -51.43 46.53 Favored 'General case' 0 C--N 1.346 0.455 0 CA-C-O 118.795 -0.622 . . . . 0.0 111.041 172.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -53.44 -48.47 68.77 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.182 0.993 . . . . 0.0 112.456 -177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 43.2 mtp -43.38 -58.81 2.39 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.522 1.929 . . . . 0.0 112.045 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.6 mt -68.4 -47.03 79.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 125.749 1.62 . . . . 0.0 110.937 -177.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -69.87 -0.26 6.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.26 1.824 . . . . 0.0 114.386 -171.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -62.41 -57.46 11.2 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.564 1.075 . . . . 0.0 109.886 166.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.0 t -72.44 -56.22 10.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 125.618 1.567 . . . . 0.0 110.227 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -61.95 99.45 0.13 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.457 1.503 . . . . 0.0 109.86 -171.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.36 -54.83 42.38 Favored 'General case' 0 C--N 1.345 0.404 0 C-N-CA 126.247 1.819 . . . . 0.0 111.833 -174.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -59.04 -43.1 91.61 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.801 1.24 . . . . 0.0 111.638 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 65.5 50.7 53.67 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 126.102 1.81 . . . . 0.0 113.224 174.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -81.71 17.94 1.36 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.151 0.98 . . . . 0.0 112.805 177.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.61 -52.07 3.46 Favored Glycine 0 C--N 1.348 1.231 0 C-N-CA 124.413 1.006 . . . . 0.0 111.198 -175.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 76.2 p -63.5 139.81 58.81 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.696 1.599 . . . . 0.0 110.514 172.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.56 100.38 9.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 124.659 1.183 . . . . 0.0 108.326 168.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -69.36 -172.94 0.49 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.527 1.931 . . . . 0.0 112.289 -170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -59.69 -66.27 1.57 Allowed Pre-proline 0 CA--C 1.544 0.746 0 C-N-CA 124.46 1.104 . . . . 0.0 112.353 -177.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -64.69 -34.41 51.05 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.093 2.529 . . . . 0.0 112.386 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -60.95 -41.69 96.79 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.73 1.212 . . . . 0.0 111.229 176.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.79 -44.5 89.75 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.732 0.813 . . . . 0.0 110.929 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.96 -28.96 66.8 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.894 0.77 . . . . 0.0 112.27 173.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.7 m -64.77 -60.19 3.38 Favored 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.191 0.905 . . . . 0.0 109.038 169.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 48.7 ttp -49.02 -39.15 25.88 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.224 1.41 . . . . 0.0 113.204 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.3 mmt -72.34 -60.24 2.33 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.577 1.151 . . . . 0.0 111.185 177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -86.91 -74.19 0.44 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.897 0.879 . . . . 0.0 112.226 -170.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -81.24 -62.87 1.53 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 123.697 0.799 . . . . 0.0 110.622 -166.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? 78.35 132.0 0.05 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.721 2.408 . . . . 0.0 113.224 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.6 tpt 81.13 99.97 0.06 Allowed 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.949 2.9 . . . . 0.0 111.753 174.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 81.6 tttt 77.1 119.89 0.05 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.202 2.201 . . . . 0.0 110.978 179.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.76 43.48 0.58 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.303 1.441 . . . . 0.0 113.382 -174.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.4 p -142.48 -85.66 0.16 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.284 1.833 . . . . 0.0 107.667 168.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -93.21 109.21 20.73 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.447 1.499 . . . . 0.0 107.608 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.38 -49.08 0.99 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.256 1.822 . . . . 0.0 110.677 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -53.68 -37.03 62.81 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.128 0.571 . . . . 0.0 111.496 171.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -55.37 -53.28 58.13 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.996 1.318 . . . . 0.0 111.208 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -54.9 -42.46 72.18 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.952 0.901 . . . . 0.0 111.989 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.2 mm -72.11 -32.32 43.03 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.215 1.006 . . . . 0.0 111.873 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -64.99 -43.66 91.85 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 119.378 0.99 . . . . 0.0 112.111 169.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.34 -51.54 58.2 Favored 'General case' 0 C--N 1.348 0.517 0 CA-C-N 119.056 0.844 . . . . 0.0 109.551 170.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.69 -35.01 71.92 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.62 1.168 . . . . 0.0 113.594 177.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -64.28 -48.66 74.83 Favored 'General case' 0 C--N 1.346 0.434 0 CA-C-N 118.982 0.81 . . . . 0.0 111.166 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.1 mtp85 -57.74 -34.09 69.15 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.355 0.662 . . . . 0.0 112.363 178.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 98.7 t -67.66 -53.85 27.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.287 1.035 . . . . 0.0 110.068 172.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -69.23 -80.56 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.48 1.112 . . . . 0.0 110.186 -175.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -74.66 128.81 36.46 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.882 1.273 . . . . 0.0 109.528 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -68.44 -37.98 80.75 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.125 0.97 . . . . 0.0 111.999 -172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -70.71 -59.52 2.77 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.988 0.915 . . . . 0.0 110.363 175.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 70.73 63.05 3.33 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.951 1.262 . . . . 0.0 110.567 -175.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -123.31 41.62 3.42 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 126.017 1.727 . . . . 0.0 110.835 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.33 -66.74 2.89 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 124.466 1.031 . . . . 0.0 110.685 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -53.23 127.18 23.54 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.776 2.03 . . . . 0.0 111.156 172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.3 mm -108.32 104.44 17.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 125.104 1.362 . . . . 0.0 107.603 174.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -71.05 144.37 50.4 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.243 1.017 . . . . 0.0 111.053 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.0 87.07 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.766 1.627 . . . . 0.0 112.416 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.48 -42.58 87.87 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.665 1.186 . . . . 0.0 112.109 176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -71.53 -21.92 61.84 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.91 1.284 . . . . 0.0 112.867 176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -73.92 -57.75 3.76 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 119.319 0.963 . . . . 0.0 110.489 173.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -20.26 22.78 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.581 1.326 . . . . 0.0 114.581 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 12.0 m80 -60.45 -64.3 1.0 Allowed 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.669 0.787 . . . . 0.0 110.872 167.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.49 -29.93 43.36 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -176.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 35.2 mmt -58.62 -47.31 84.79 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.057 0.844 . . . . 0.0 110.795 170.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 58.1 m -70.29 -31.9 69.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.806 1.242 . . . . 0.0 112.549 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -57.49 -31.82 66.39 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.213 1.005 . . . . 0.0 113.197 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.6 mt -64.41 -42.0 96.31 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.881 0.872 . . . . 0.0 111.382 170.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.65 49.69 1.01 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 126.057 1.789 . . . . 0.0 109.723 -172.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -137.95 79.93 1.77 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.67 1.588 . . . . 0.0 107.213 -176.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -82.85 72.89 9.92 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.676 1.59 . . . . 0.0 109.79 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.57 163.92 13.37 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 109.226 172.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -54.87 130.19 40.25 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.726 1.61 . . . . 0.0 111.966 -178.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -72.23 -25.86 61.8 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.465 1.506 . . . . 0.0 113.039 177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.12 -25.94 65.85 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.906 0.882 . . . . 0.0 112.935 173.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -64.27 -45.66 87.09 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.916 0.886 . . . . 0.0 110.875 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.47 -49.54 72.59 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 124.642 1.177 . . . . 0.0 110.126 173.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.17 -37.93 87.13 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.74 0.816 . . . . 0.0 112.91 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -54.62 -56.34 20.09 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.873 1.269 . . . . 0.0 111.596 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 34.8 mtt -44.86 -51.95 9.07 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 127.014 2.126 . . . . 0.0 112.021 175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 98.5 mt -62.25 -61.66 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 C-N-CA 125.442 1.497 . . . . 0.0 109.1 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -56.92 -31.44 64.93 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.134 1.773 . . . . 0.0 113.899 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -56.81 -38.44 72.57 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.468 1.107 . . . . 0.0 112.091 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -142.78 73.45 1.4 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 110.996 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -125.92 104.67 8.43 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 126.338 1.855 . . . . 0.0 107.359 171.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 86.2 mt -77.66 -56.45 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 125.138 1.375 . . . . 0.0 110.737 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.82 -59.39 5.21 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.141 0.976 . . . . 0.0 111.322 -178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.79 86.75 0.77 Allowed Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.337 -1.105 . . . . 0.0 110.337 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 53.1 p-10 -150.38 27.5 0.75 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.16 1.384 . . . . 0.0 112.003 173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 64.59 36.1 92.74 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.11 1.338 . . . . 0.0 113.455 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -147.61 -178.64 6.36 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.124 1.369 . . . . 0.0 110.72 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 40.8 t -133.4 98.24 2.66 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 C-N-CA 125.447 1.499 . . . . 0.0 108.01 176.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -60.44 171.95 0.97 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.517 1.527 . . . . 0.0 111.432 174.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.23 -50.43 71.32 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.018 0.927 . . . . 0.0 110.943 169.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -68.87 6.8 0.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 124.802 1.241 . . . . 0.0 113.892 176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -118.14 -35.42 3.84 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.275 1.83 . . . . 0.0 110.461 171.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -68.75 -42.59 77.3 Favored 'General case' 0 C--N 1.345 0.392 0 C-N-CA 125.278 1.431 . . . . 0.0 110.478 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.1 -53.09 48.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 123.587 0.755 . . . . 0.0 109.787 168.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.65 -29.64 66.04 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -164.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -68.5 -35.72 77.89 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.243 0.929 . . . . 0.0 111.714 174.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 51.5 mtt -77.9 -29.63 50.24 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.161 1.384 . . . . 0.0 111.639 172.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 30.0 m -110.56 53.11 0.71 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.409 1.883 . . . . 0.0 108.159 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -80.78 112.37 18.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.402 0.681 . . . . 0.0 109.4 -174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 11.7 mttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.987 2.115 . . . . 0.0 109.339 -167.78 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.133 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -152.34 158.08 42.23 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.918 1.287 . . . . 0.0 110.891 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -89.67 107.41 19.07 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.273 1.429 . . . . 0.0 109.648 -173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.93 142.48 43.98 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.702 1.201 . . . . 0.0 108.912 173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -80.42 84.33 6.06 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.597 1.159 . . . . 0.0 109.43 -173.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 78.4 p -116.47 173.77 6.43 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.601 1.96 . . . . 0.0 110.572 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -49.42 -52.09 31.04 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.232 1.413 . . . . 0.0 110.972 173.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 m -51.04 -53.77 30.63 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.11 1.364 . . . . 0.0 111.707 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.53 -48.43 80.89 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.721 0.808 . . . . 0.0 111.602 -177.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 57.2 t -53.86 -52.65 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.621 1.168 . . . . 0.0 110.786 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -77.66 -12.23 59.95 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 37.0 mt -71.29 -28.49 64.16 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.544 1.065 . . . . 0.0 111.513 166.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -77.69 -41.62 37.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.257 1.023 . . . . 0.0 110.798 171.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 10.0 ttm -53.55 -62.99 1.3 Allowed 'General case' 0 C--N 1.346 0.449 0 C-N-CA 125.16 1.384 . . . . 0.0 110.411 174.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 tp -58.93 -36.45 61.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.792 1.637 . . . . 0.0 112.199 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 92.1 m -65.87 -54.15 30.4 Favored 'General case' 0 C--N 1.347 0.464 0 C-N-CA 124.585 1.154 . . . . 0.0 110.177 173.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.58 -22.91 62.44 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.348 1.459 . . . . 0.0 113.345 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -44.33 97.07 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.607 1.563 . . . . 0.0 110.443 179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -55.49 -40.63 71.97 Favored 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.612 1.165 . . . . 0.0 111.946 170.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -58.12 -27.46 63.76 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.776 0.83 . . . . 0.0 113.081 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.99 -52.71 7.13 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.517 0.727 . . . . 0.0 110.185 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.95 -54.49 34.66 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.458 0 C-N-CA 125.661 1.585 . . . . 0.0 111.656 -169.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -53.58 -56.04 20.56 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.274 1.83 . . . . 0.0 110.862 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.05 -56.55 11.99 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.82 1.648 . . . . 0.0 111.91 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -61.4 -48.57 80.64 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.928 1.291 . . . . 0.0 112.016 -176.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.21 -38.7 68.76 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.655 1.582 . . . . 0.0 111.418 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -79.87 77.97 6.5 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 166.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.489 1.516 . . . . 0.0 109.902 -179.636 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.335 0 N-CA-C 113.23 0.052 . . . . 0.0 113.23 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -159.86 148.43 17.37 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.358 1.063 . . . . 0.0 110.795 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -145.96 -53.12 0.26 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.707 1.603 . . . . 0.0 109.909 173.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -73.25 120.78 19.34 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.613 1.165 . . . . 0.0 110.631 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -78.88 127.8 32.49 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.198 1.399 . . . . 0.0 110.139 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 68.4 p -89.69 142.02 28.07 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.925 0.89 . . . . 0.0 109.81 169.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.13 -23.08 66.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.289 1.436 . . . . 0.0 112.948 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -59.34 -42.17 90.87 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.635 1.174 . . . . 0.0 111.538 173.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -60.11 -45.78 91.81 Favored 'General case' 0 C--N 1.346 0.416 0 C-N-CA 124.164 0.985 . . . . 0.0 111.506 176.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 75.1 t -53.14 -51.96 34.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.178 0.991 . . . . 0.0 111.161 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -66.57 -46.1 77.1 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.921 0.888 . . . . 0.0 112.124 177.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -57.85 -47.37 82.88 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.658 1.183 . . . . 0.0 111.695 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -71.98 -23.6 61.45 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.229 1.411 . . . . 0.0 112.607 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -74.49 -36.12 63.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.842 0.857 . . . . 0.0 110.633 171.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.22 -37.47 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 124.651 1.181 . . . . 0.0 110.437 167.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 23.5 m -58.31 -45.57 87.76 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.433 1.015 . . . . 0.0 110.805 171.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.96 -24.11 56.62 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.94 0.896 . . . . 0.0 113.025 176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -70.07 -49.88 46.64 Favored 'General case' 0 C--N 1.347 0.477 0 CA-C-N 119.065 0.848 . . . . 0.0 110.769 172.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -52.29 -46.87 66.09 Favored 'General case' 0 C--N 1.347 0.457 0 C-N-CA 123.747 0.819 . . . . 0.0 110.248 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -60.71 -38.64 85.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.458 1.503 . . . . 0.0 111.896 176.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -55.2 -57.0 13.62 Favored 'General case' 0 C--N 1.35 0.626 0 C-N-CA 124.11 0.964 . . . . 0.0 110.139 171.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.57 -47.62 87.98 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 118.805 -0.617 . . . . 0.0 110.347 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -46.51 -42.93 16.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.537 1.535 . . . . 0.0 112.902 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -68.9 -57.48 5.47 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.982 0.913 . . . . 0.0 111.094 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.54 -21.87 63.61 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.032 1.333 . . . . 0.0 113.669 -172.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 tttp -51.53 -48.87 62.85 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.234 2.214 . . . . 0.0 111.387 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt -64.57 144.96 56.83 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.505 1.122 . . . . 0.0 110.253 170.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 11.8 mmpt? . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.484 -1.246 . . . . 0.0 109.958 178.552 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -128.06 -51.31 1.32 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.174 1.79 . . . . 0.0 108.855 176.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -85.53 173.39 10.24 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.903 1.681 . . . . 0.0 111.42 177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 mt 70.13 111.19 0.05 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.231 2.212 . . . . 0.0 111.724 175.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -61.99 160.23 12.78 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.667 1.587 . . . . 0.0 112.774 -177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.79 6.09 5.45 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.759 1.623 . . . . 0.0 114.152 -173.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.8 -50.65 40.92 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 109.917 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -55.33 -52.29 63.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.586 1.554 . . . . 0.0 112.241 -176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 pp -61.69 -39.17 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 C-N-CA 124.056 0.942 . . . . 0.0 111.744 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.86 -41.82 99.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.523 1.129 . . . . 0.0 111.777 174.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -66.31 -43.02 87.42 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.786 1.235 . . . . 0.0 111.968 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -63.56 -43.61 96.53 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.712 0.805 . . . . 0.0 111.083 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -56.72 -49.73 74.31 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.422 1.089 . . . . 0.0 110.786 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -62.13 -44.64 96.18 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.672 1.589 . . . . 0.0 112.527 178.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.14 -47.99 71.29 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.396 1.078 . . . . 0.0 111.687 -179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -62.84 -49.58 74.36 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.084 1.354 . . . . 0.0 111.795 173.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 t -53.61 -31.35 46.71 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.992 1.717 . . . . 0.0 114.026 -175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.3 tp -57.37 -54.56 45.38 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.034 0.934 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -71.42 -42.0 68.84 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.226 1.411 . . . . 0.0 111.436 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -84.21 73.69 10.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.656 1.182 . . . . 0.0 109.455 176.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.91 -41.19 97.62 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.71 1.604 . . . . 0.0 112.467 177.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.36 -55.22 30.78 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.819 1.248 . . . . 0.0 111.755 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.63 -31.02 5.72 Favored Glycine 0 CA--C 1.535 1.287 0 C-N-CA 124.598 1.095 . . . . 0.0 112.201 -172.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -50.58 -33.2 21.05 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.245 1.818 . . . . 0.0 114.502 -177.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.07 46.28 5.97 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.019 1.295 . . . . 0.0 112.782 177.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 38.9 p -153.01 98.49 2.31 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.707 1.603 . . . . 0.0 108.527 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.77 79.45 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 C-N-CA 124.32 1.048 . . . . 0.0 108.635 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.5 t -68.08 170.75 7.9 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.677 1.191 . . . . 0.0 111.906 -179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 44.7 p -56.78 -45.42 82.15 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.788 1.635 . . . . 0.0 112.246 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -51.03 -46.3 61.56 Favored 'General case' 0 C--N 1.347 0.47 0 CA-C-N 118.613 0.642 . . . . 0.0 112.106 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -60.85 -48.82 80.07 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.483 1.113 . . . . 0.0 111.926 -173.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.0 mt -55.93 -42.4 76.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.529 0.732 . . . . 0.0 111.896 172.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.67 -53.95 38.14 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.123 0.868 . . . . 0.0 111.782 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 61.3 m -58.42 -48.67 79.94 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.482 1.913 . . . . 0.0 112.248 -177.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.0 t -53.11 -52.89 25.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.769 1.228 . . . . 0.0 110.254 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 59.9 mtt -59.71 -43.93 93.91 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.34 1.056 . . . . 0.0 112.106 176.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.54 -45.95 88.2 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.944 1.298 . . . . 0.0 111.643 -177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.3 t -52.78 -53.08 53.33 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.225 1.41 . . . . 0.0 111.395 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.78 -63.57 1.2 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.51 1.124 . . . . 0.0 110.284 175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 150.4 51.43 0.02 OUTLIER Glycine 0 CA--C 1.534 1.273 0 C-N-CA 124.239 0.923 . . . . 0.0 112.948 169.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.61 135.99 33.91 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.056 1.743 . . . . 0.0 108.69 173.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -113.47 89.69 15.73 Favored Pre-proline 0 CA--C 1.541 0.613 0 C-N-CA 124.482 1.113 . . . . 0.0 109.796 -177.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -78.66 155.46 27.53 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.662 2.908 . . . . 0.0 111.171 178.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -88.49 130.13 35.28 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.682 1.193 . . . . 0.0 109.543 178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -56.88 -40.36 76.07 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.263 1.425 . . . . 0.0 113.76 -170.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -46.9 -43.37 18.79 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.397 1.479 . . . . 0.0 112.695 176.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -70.18 -47.44 61.56 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.033 0.933 . . . . 0.0 110.996 178.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 68.5 mt -49.03 -35.46 15.66 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.755 1.222 . . . . 0.0 113.518 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -63.46 -57.91 8.73 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.941 1.296 . . . . 0.0 111.236 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -64.08 -39.25 93.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.088 1.355 . . . . 0.0 111.899 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 60.4 mtp -48.65 -36.76 16.64 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.113 2.165 . . . . 0.0 113.132 172.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 95.1 mt -85.8 -53.16 11.07 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 C-N-CA 124.56 1.144 . . . . 0.0 109.408 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -71.66 -7.16 46.2 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.246 1.572 . . . . 0.0 115.246 -166.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -50.94 -37.88 46.97 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.122 0.969 . . . . 0.0 112.277 165.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 65.4 t -97.7 -51.69 10.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 125.548 1.539 . . . . 0.0 110.705 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -51.47 119.3 3.99 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.361 1.464 . . . . 0.0 111.34 -170.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.75 -59.97 4.14 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.779 1.231 . . . . 0.0 111.166 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -70.65 -52.49 20.85 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.549 1.14 . . . . 0.0 111.378 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 61.69 44.05 98.44 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.823 1.201 . . . . 0.0 114.669 170.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -64.85 -46.23 82.76 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.178 0.989 . . . . 0.0 110.332 168.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 171.22 -64.5 0.15 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 125.09 1.329 . . . . 0.0 110.241 176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 66.4 p -57.79 132.12 52.37 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.7 1.6 . . . . 0.0 111.673 -178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.8 tp -106.57 98.71 7.26 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 170.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -72.89 -171.68 0.9 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.126 1.37 . . . . 0.0 111.812 -172.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.87 -58.09 22.05 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.35 1.06 . . . . 0.0 111.484 -177.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -62.84 -40.45 35.62 Favored 'Trans proline' 0 CA--C 1.538 0.695 0 C-N-CA 123.667 2.911 . . . . 0.0 112.128 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.43 -37.47 83.07 Favored 'General case' 0 C--N 1.344 0.35 0 C-N-CA 125.256 1.422 . . . . 0.0 112.073 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -66.17 -49.21 68.14 Favored 'General case' 0 C--N 1.344 0.351 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.22 -18.17 24.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.087 0.955 . . . . 0.0 113.398 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.5 m -67.82 -64.13 0.92 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 119.69 1.132 . . . . 0.0 108.291 167.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.5 mtm -43.25 -43.96 5.08 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.012 1.325 . . . . 0.0 112.44 176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.5 -64.57 0.83 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.212 1.005 . . . . 0.0 110.953 178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -92.08 -71.69 0.63 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.594 1.158 . . . . 0.0 112.646 -170.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -69.13 -67.13 0.5 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.832 0.853 . . . . 0.0 111.464 -170.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt 75.38 139.84 0.06 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.989 2.516 . . . . 0.0 113.995 171.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.08 111.73 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.948 2.899 . . . . 0.0 111.871 -175.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.0 tttp 74.01 162.67 0.26 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.214 1.805 . . . . 0.0 110.447 -175.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -118.33 35.35 4.79 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.503 1.121 . . . . 0.0 111.355 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 53.8 p -142.93 -102.41 0.13 Allowed 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.544 1.538 . . . . 0.0 108.329 174.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.64 113.6 10.94 Favored 'General case' 0 C--N 1.344 0.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.5 m -149.53 -40.11 0.15 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.276 1.03 . . . . 0.0 111.375 -161.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.8 -42.96 85.07 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.513 0.725 . . . . 0.0 110.533 167.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -59.92 -39.42 85.39 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.349 1.46 . . . . 0.0 111.621 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -57.37 -61.28 2.6 Favored 'General case' 0 C--N 1.346 0.446 0 C-N-CA 124.049 0.94 . . . . 0.0 109.981 175.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 34.5 mm -55.82 -32.33 31.95 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 124.358 1.063 . . . . 0.0 112.401 177.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -64.41 -35.99 82.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 118.852 0.751 . . . . 0.0 112.182 177.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -57.18 -59.24 5.4 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.918 0.887 . . . . 0.0 109.732 170.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.74 -33.37 61.05 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.176 1.391 . . . . 0.0 113.538 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -53.79 -53.15 56.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.377 1.071 . . . . 0.0 110.457 172.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -66.1 -38.61 88.64 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.464 0.705 . . . . 0.0 112.359 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.68 -49.35 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 124.334 1.053 . . . . 0.0 110.801 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.75 -71.53 0.34 Allowed 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.554 1.142 . . . . 0.0 109.319 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -77.32 117.49 18.87 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.704 2.002 . . . . 0.0 109.269 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -82.06 58.02 3.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.4 1.48 . . . . 0.0 111.105 -170.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 178.92 -59.83 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.002 2.121 . . . . 0.0 108.594 -173.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.57 67.63 1.78 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.274 0.94 . . . . 0.0 110.919 -178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 44.1 p-10 -122.0 20.87 10.7 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.833 1.653 . . . . 0.0 112.168 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 60.61 53.56 44.38 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.708 1.147 . . . . 0.0 112.244 -173.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -163.21 105.29 1.0 Allowed 'General case' 0 C--N 1.346 0.42 0 C-N-CA 126.222 1.809 . . . . 0.0 108.098 172.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.1 mt -101.16 96.04 4.45 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 124.545 1.138 . . . . 0.0 108.137 -177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 p -70.41 160.51 32.21 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.296 0.639 . . . . 0.0 111.566 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.02 -51.47 63.89 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.693 1.197 . . . . 0.0 111.957 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.95 -47.85 83.61 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.583 1.153 . . . . 0.0 111.905 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.36 -32.02 72.75 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.225 1.41 . . . . 0.0 112.428 178.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.39 -31.62 62.42 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.438 1.095 . . . . 0.0 112.352 170.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -66.74 -40.46 88.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.009 0.924 . . . . 0.0 111.561 176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 51.6 m-70 -51.2 -52.85 40.5 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.589 1.155 . . . . 0.0 112.433 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.6 p -61.45 -30.97 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.808 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 18.6 mmt -66.39 -56.32 11.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.18 0.9 . . . . 0.0 110.118 173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.0 m -65.27 -30.52 71.4 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 126.745 2.018 . . . . 0.0 113.08 -174.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -45.95 -46.51 16.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.046 1.738 . . . . 0.0 112.011 173.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.86 -51.48 68.02 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.254 1.422 . . . . 0.0 110.915 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.43 56.37 0.16 Allowed Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.109 1.814 . . . . 0.0 109.131 -176.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -129.49 83.77 2.17 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.448 1.499 . . . . 0.0 108.59 -173.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -82.61 73.25 9.66 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.961 1.305 . . . . 0.0 109.031 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 80.3 mt -108.12 150.67 26.9 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.464 1.905 . . . . 0.0 108.907 174.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 74.2 p -63.81 117.15 6.51 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.182 0.993 . . . . 0.0 110.76 -175.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -70.09 -8.66 51.32 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.126 1.37 . . . . 0.0 114.606 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -53.52 -39.01 64.3 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.26 1.024 . . . . 0.0 112.223 175.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -49.62 -51.05 40.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.024 0.929 . . . . 0.0 111.672 170.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.2 t -55.48 -49.79 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 124.759 1.223 . . . . 0.0 110.711 179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -56.34 -43.15 78.77 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.383 1.473 . . . . 0.0 112.767 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -60.5 -58.41 8.59 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.107 0.963 . . . . 0.0 110.767 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -67.85 -23.09 65.12 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.0 mt -61.51 -59.72 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 163.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -61.05 -22.11 64.27 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.359 1.464 . . . . 0.0 114.773 -178.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -58.4 -23.03 56.02 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.968 0.907 . . . . 0.0 112.558 170.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.98 63.35 0.58 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.865 0.866 . . . . 0.0 110.589 165.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.57 85.05 2.27 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 168.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.77 -57.44 11.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.734 1.614 . . . . 0.0 110.769 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.75 -55.25 37.24 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.315 1.046 . . . . 0.0 110.821 177.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.34 74.72 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 C-N-CA 123.999 0.809 . . . . 0.0 111.676 173.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -145.1 43.45 1.32 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.675 1.19 . . . . 0.0 110.534 169.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.18 7.7 52.06 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.188 1.375 . . . . 0.0 114.966 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -127.03 179.17 5.55 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.796 1.638 . . . . 0.0 110.656 -171.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 101.52 1.39 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.952 1.301 . . . . 0.0 107.933 176.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -68.74 171.87 7.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.345 1.458 . . . . 0.0 110.965 176.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -59.22 -50.08 75.38 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.467 1.107 . . . . 0.0 111.733 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -54.67 -48.16 72.73 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.863 1.265 . . . . 0.0 111.937 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -60.71 -44.66 96.31 Favored 'General case' 0 C--N 1.343 0.309 0 C-N-CA 125.24 1.416 . . . . 0.0 111.354 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -57.81 -50.6 72.72 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.54 1.536 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 59.0 t -60.12 -57.63 10.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.558 1.143 . . . . 0.0 110.6 176.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -68.62 -19.25 64.43 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.894 1.277 . . . . 0.0 113.891 -172.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 30.7 ttp -71.87 -41.66 67.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.78 1.232 . . . . 0.0 110.968 170.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -70.13 -24.9 63.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.971 0.909 . . . . 0.0 111.972 169.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -109.05 53.09 0.69 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.827 1.651 . . . . 0.0 109.085 177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -75.26 93.9 2.92 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.687 -0.633 . . . . 0.0 112.029 -169.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? . . . . . 0 C--O 1.252 1.222 0 C-N-CA 126.266 1.826 . . . . 0.0 109.103 156.59 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -69.34 166.5 18.45 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.298 1.439 . . . . 0.0 112.006 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -132.05 158.29 41.95 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.268 1.427 . . . . 0.0 111.533 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -92.32 133.83 35.48 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.009 1.724 . . . . 0.0 109.703 -174.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.47 61.14 0.83 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.57 1.548 . . . . 0.0 108.846 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 75.0 p -64.91 145.96 55.59 Favored 'General case' 0 C--N 1.344 0.352 0 C-N-CA 124.563 1.145 . . . . 0.0 110.708 176.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -55.0 -36.35 65.34 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.563 1.145 . . . . 0.0 112.287 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 65.3 m -52.98 -50.75 63.51 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.85 1.66 . . . . 0.0 111.612 173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.7 -49.18 78.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.978 1.311 . . . . 0.0 111.529 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.4 -56.51 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.402 1.081 . . . . 0.0 110.427 178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -65.91 -28.59 69.05 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.818 0.847 . . . . 0.0 112.709 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.62 -39.54 93.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.561 1.145 . . . . 0.0 111.226 173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -68.23 -47.34 68.09 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 122.991 0.516 . . . . 0.0 111.383 171.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' MET . . . . . . . . . . . . . 55.5 mtm -58.06 -49.38 77.09 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 123.44 0.696 . . . . 0.0 112.012 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ILE . . . . . . . . . . . . . 2.7 tp -62.13 -37.43 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 124.286 1.034 . . . . 0.0 111.929 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 87.8 m -67.3 -49.69 63.21 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.724 1.61 . . . . 0.0 110.324 175.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.72 -23.86 65.24 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.916 1.686 . . . . 0.0 113.609 174.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -83.36 -36.17 24.57 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.625 1.97 . . . . 0.0 110.177 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -59.61 -45.0 93.24 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.803 0.841 . . . . 0.0 110.942 169.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mmmm -49.45 -43.79 45.16 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 125.656 1.582 . . . . 0.0 112.582 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -46.11 86.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.72 0.808 . . . . 0.0 111.017 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 11.3 t -59.19 -41.46 83.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 124.031 0.932 . . . . 0.0 110.62 177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.62 -45.65 77.48 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.231 1.413 . . . . 0.0 111.469 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -58.05 -55.15 38.63 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.103 0.961 . . . . 0.0 111.766 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -62.89 -23.18 67.21 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -99.32 56.73 1.02 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.715 1.206 . . . . 0.0 110.553 169.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -142.48 142.4 32.29 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.916 2.087 . . . . 0.0 108.218 167.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 C-N-CA 125.582 1.553 . . . . 0.0 110.872 178.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.121 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 66.9 m -144.95 167.0 23.69 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.564 1.546 . . . . 0.0 110.34 -178.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -82.21 30.14 0.4 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.002 1.321 . . . . 0.0 112.834 176.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -161.27 133.9 6.11 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.858 0.863 . . . . 0.0 109.757 -177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -115.05 120.08 38.62 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.908 1.683 . . . . 0.0 108.246 177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' THR . . . . . . . . . . . . . 49.6 p -128.68 167.31 17.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.064 1.346 . . . . 0.0 111.665 -175.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -57.45 -48.0 80.34 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.255 1.422 . . . . 0.0 110.721 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 35.8 t -52.1 -41.87 62.81 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.574 1.55 . . . . 0.0 112.355 176.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.53 -43.19 99.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.517 1.127 . . . . 0.0 111.645 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.27 -42.13 94.17 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 C-N-CA 123.978 0.911 . . . . 0.0 110.981 177.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -65.18 -44.52 88.21 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.734 0.814 . . . . 0.0 112.044 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 2.0 tp -53.74 -46.5 70.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.003 1.321 . . . . 0.0 111.412 174.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -66.12 -23.33 66.47 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.034 1.334 . . . . 0.0 113.295 177.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' MET . . . . . . . . . . . . . 1.4 tmt? -80.79 -28.96 36.16 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.379 1.071 . . . . 0.0 111.208 174.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ILE . . . . . . . . . . . . . 72.7 mt -67.5 -47.05 81.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 124.419 1.088 . . . . 0.0 109.129 166.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' THR . . . . . . . . . . . . . 42.4 m -53.07 -38.1 62.22 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.3 1.04 . . . . 0.0 111.927 170.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.0 -39.78 82.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.694 0.798 . . . . 0.0 111.813 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' TRP . . . . . . . . . . . . . 25.8 m0 -57.07 -46.54 82.42 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.283 0.492 . . . . 0.0 110.765 170.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp -57.34 -51.87 67.63 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.932 0.893 . . . . 0.0 111.258 179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -50.81 -46.44 59.85 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.782 1.233 . . . . 0.0 111.597 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -55.01 40.27 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.64 1.576 . . . . 0.0 111.927 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 40.2 t -60.64 -40.02 83.34 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.781 0 C-N-CA 123.241 0.616 . . . . 0.0 110.822 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -65.6 -0.64 2.15 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 174.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -103.86 -56.8 2.14 Favored 'General case' 0 C--N 1.346 0.427 0 C-N-CA 124.901 1.281 . . . . 0.0 109.215 170.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttp -63.72 -48.38 77.32 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.563 1.145 . . . . 0.0 111.873 -174.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 56.04 1.5 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.133 1.373 . . . . 0.0 110.19 -178.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -86.96 159.58 18.96 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.142 1.377 . . . . 0.0 110.66 169.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 44.6 tptt . . . . . 0 C--O 1.251 1.172 0 C-N-CA 124.747 1.219 . . . . 0.0 109.981 -175.413 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_